cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone

C33H58N4O8 — CID 170319473

IUPACcyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1.O=C(C1CCCC1)N1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1
InChIInChI=1S/C17H30N2O4.C16H28N2O4/c20-14-10-18(11-15(21)16(14)22)9-12-5-7-19(8-6-12)17(23)13-3-1-2-4-13;19-13-9-17(10-14(20)15(13)21)8-11-4-6-18(7-5-11)16(22)12-2-1-3-12/h12-16,20-22H,1-11H2;11-15,19-21H,1-10H2/t14-,15+,16?;13-,14+,15?
InChIKeyHESJNXYQIDUQOZ-XRKKKOEBSA-N
MW638.85 g/mol
LogP-0.76
Rot. Bonds6

About cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone

cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone (PubChem CID 170319473) has the molecular formula C33H58N4O8 and a molecular weight of 638.85 g/mol. Its IUPAC name is cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
PubChem CID170319473
Molecular FormulaC33H58N4O8
Molecular Weight638.85 g/mol
Exact Mass638.43
IUPAC Namecyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1.O=C(C1CCCC1)N1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1
InChIInChI=1S/C17H30N2O4.C16H28N2O4/c20-14-10-18(11-15(21)16(14)22)9-12-5-7-19(8-6-12)17(23)13-3-1-2-4-13;19-13-9-17(10-14(20)15(13)21)8-11-4-6-18(7-5-11)16(22)12-2-1-3-12/h12-16,20-22H,1-11H2;11-15,19-21H,1-10H2/t14-,15+,16?;13-,14+,15?
InChIKeyHESJNXYQIDUQOZ-XRKKKOEBSA-N
XLogP-0.76
TPSA168.48 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.85
LogP ≤ 5-0.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 157039323
cyclohexyl-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 157039852
N-cyclohexyl-4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidine-1-carbothioamide
CID 166834272
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 91919810
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 71784715
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
tert-butyl 4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 174199243
3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944705

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone (CID 170319473) is cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1.O=C(C1CCCC1)N1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1.
What is the InChIKey of cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is HESJNXYQIDUQOZ-XRKKKOEBSA-N. The full InChI is InChI=1S/C17H30N2O4.C16H28N2O4/c20-14-10-18(11-15(21)16(14)22)9-12-5-7-19(8-6-12)17(23)13-3-1-2-4-13;19-13-9-17(10-14(20)15(13)21)8-11-4-6-18(7-5-11)16(22)12-2-1-3-12/h12-16,20-22H,1-11H2;11-15,19-21H,1-10H2/t14-,15+,16?;13-,14+,15?.
What are the key properties of cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone?
cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 638.85 g/mol, XLogP of -0.76, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 170319473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).