[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C16H23N3O2 — CID 136568171

IUPAC[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ccncc2CO)CC1)N1CCCC1
InChIInChI=1S/C16H23N3O2/c20-12-14-11-17-6-3-15(14)18-9-4-13(5-10-18)16(21)19-7-1-2-8-19/h3,6,11,13,20H,1-2,4-5,7-10,12H2
InChIKeyCCBWMMLYWYHGCE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.41
Rot. Bonds3

About [1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 136568171) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID136568171
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ccncc2CO)CC1)N1CCCC1
InChIInChI=1S/C16H23N3O2/c20-12-14-11-17-6-3-15(14)18-9-4-13(5-10-18)16(21)19-7-1-2-8-19/h3,6,11,13,20H,1-2,4-5,7-10,12H2
InChIKeyCCBWMMLYWYHGCE-UHFFFAOYSA-N
XLogP1.41
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-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

2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 136568130
[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 81237725
[4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 81237712
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462424
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone
CID 43462423
2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114799569
[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 90205765
[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81237350
[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81238726
2-[4-[3-(hydroxymethyl)-4-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107225535
[1-[3-(hydroxymethyl)-4-pyridinyl]azepan-2-yl]methanol
CID 116637094
[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81236983

Frequently Asked Questions

What is the IUPAC name of [1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 136568171) is [1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(c2ccncc2CO)CC1)N1CCCC1.
What is the InChIKey of [1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CCBWMMLYWYHGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-12-14-11-17-6-3-15(14)18-9-4-13(5-10-18)16(21)19-7-1-2-8-19/h3,6,11,13,20H,1-2,4-5,7-10,12H2.
What are the key properties of [1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 289.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 136568171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).