[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone

C20H31N3O2 — CID 70773679

IUPAC[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCCCC1(CO)CCCN(c2cc(C(=O)N3CCCCC3)ccn2)C1
InChIInChI=1S/C20H31N3O2/c1-2-8-20(16-24)9-6-13-23(15-20)18-14-17(7-10-21-18)19(25)22-11-4-3-5-12-22/h7,10,14,24H,2-6,8-9,11-13,15-16H2,1H3
InChIKeyHKXIWDHSRNACQS-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.09
Rot. Bonds5

About [2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone

[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 70773679) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is [2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
PubChem CID70773679
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCCCC1(CO)CCCN(c2cc(C(=O)N3CCCCC3)ccn2)C1
InChIInChI=1S/C20H31N3O2/c1-2-8-20(16-24)9-6-13-23(15-20)18-14-17(7-10-21-18)19(25)22-11-4-3-5-12-22/h7,10,14,24H,2-6,8-9,11-13,15-16H2,1H3
InChIKeyHKXIWDHSRNACQS-UHFFFAOYSA-N
XLogP3.09
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-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-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide
CID 95228012
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70720563
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97149586
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
(2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone
CID 123428768
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 97155764
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 56759076
2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574689
[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56911992

Frequently Asked Questions

What is the IUPAC name of [2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone (CID 70773679) is [2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone is CCCC1(CO)CCCN(c2cc(C(=O)N3CCCCC3)ccn2)C1.
What is the InChIKey of [2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is HKXIWDHSRNACQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-8-20(16-24)9-6-13-23(15-20)18-14-17(7-10-21-18)19(25)22-11-4-3-5-12-22/h7,10,14,24H,2-6,8-9,11-13,15-16H2,1H3.
What are the key properties of [2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone?
[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 345.49 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 70773679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).