ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate

C20H35N3O3 — CID 46872062

IUPACethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)C3CCCCC3)C2)CC1
InChIInChI=1S/C20H35N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h16-18H,2-15H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyNWXCHPFLJBTGEW-QGZVFWFLSA-N
MW365.52 g/mol
LogP2.77
Rot. Bonds4

About ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 46872062) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID46872062
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Nameethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)C3CCCCC3)C2)CC1
InChIInChI=1S/C20H35N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h16-18H,2-15H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyNWXCHPFLJBTGEW-QGZVFWFLSA-N
XLogP2.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 75239371
N-(1-cycloheptylpiperidin-3-yl)cyclopentanecarboxamide
CID 45199037
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide
CID 45184033
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074692
ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate
CID 45208447
ethyl 4-[(3S)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873778
N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide
CID 110482205
ethyl 4-[3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 75239369
ethyl 4-[(3S)-3-[(4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 146644216
ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate
CID 45245692

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate (CID 46872062) is ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)C3CCCCC3)C2)CC1.
What is the InChIKey of ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is NWXCHPFLJBTGEW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h16-18H,2-15H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 365.52 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 46872062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).