[4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone

C21H31N3O2 — CID 97154394

IUPAC[4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(N2CCC[C@@](CO)(CC3CC3)C2)CC1
InChIInChI=1S/C21H31N3O2/c25-16-21(14-17-5-6-17)9-3-11-24(15-21)18-7-12-23(13-8-18)20(26)19-4-1-2-10-22-19/h1-2,4,10,17-18,25H,3,5-9,11-16H2/t21-/m1/s1
InChIKeyMHPJSNVFZIIMRF-OAQYLSRUSA-N
MW357.50 g/mol
LogP2.56
Rot. Bonds5

About [4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone

[4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 97154394) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is [4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID97154394
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name[4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(N2CCC[C@@](CO)(CC3CC3)C2)CC1
InChIInChI=1S/C21H31N3O2/c25-16-21(14-17-5-6-17)9-3-11-24(15-21)18-7-12-23(13-8-18)20(26)19-4-1-2-10-22-19/h1-2,4,10,17-18,25H,3,5-9,11-16H2/t21-/m1/s1
InChIKeyMHPJSNVFZIIMRF-OAQYLSRUSA-N
XLogP2.56
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone 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

[4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 72924697
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 131897535
1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 68604423
[4-(1-phenylpyrrolidin-3-yl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 138382454
(3S)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579721
1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
CID 87054763
[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 97139381
N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42240976
2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
CID 127305942
pyridin-2-yl-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151128

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 97154394) is [4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC(N2CCC[C@@](CO)(CC3CC3)C2)CC1.
What is the InChIKey of [4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is MHPJSNVFZIIMRF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-16-21(14-17-5-6-17)9-3-11-24(15-21)18-7-12-23(13-8-18)20(26)19-4-1-2-10-22-19/h1-2,4,10,17-18,25H,3,5-9,11-16H2/t21-/m1/s1.
What are the key properties of [4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 357.50 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 97154394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).