(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone

C24H37N3O2 — CID 95554424

IUPAC(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1)N1CCC(O)CC1
InChIInChI=1S/C24H37N3O2/c28-23-11-17-26(18-12-23)24(29)21-7-4-13-27(19-21)22-9-15-25(16-10-22)14-8-20-5-2-1-3-6-20/h1-3,5-6,21-23,28H,4,7-19H2/t21-/m0/s1
InChIKeyPVIVCXHNCGFNNU-NRFANRHFSA-N
MW399.58 g/mol
LogP2.39
Rot. Bonds5

About (4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone

(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 95554424) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID95554424
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1)N1CCC(O)CC1
InChIInChI=1S/C24H37N3O2/c28-23-11-17-26(18-12-23)24(29)21-7-4-13-27(19-21)22-9-15-25(16-10-22)14-8-20-5-2-1-3-6-20/h1-3,5-6,21-23,28H,4,7-19H2/t21-/m0/s1
InChIKeyPVIVCXHNCGFNNU-NRFANRHFSA-N
XLogP2.39
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 26329649
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 97138323
N-(2-amino-2-oxoethyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868255
(4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 42287691
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
methyl 1-[1-(1-benzylpiperidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 4657219

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 95554424) is (4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone is O=C([C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is PVIVCXHNCGFNNU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H37N3O2/c28-23-11-17-26(18-12-23)24(29)21-7-4-13-27(19-21)22-9-15-25(16-10-22)14-8-20-5-2-1-3-6-20/h1-3,5-6,21-23,28H,4,7-19H2/t21-/m0/s1.
What are the key properties of (4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone?
(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 399.58 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 95554424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).