(3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide

C21H33N3O2 — CID 126432492

IUPAC(3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc([C@H]2CCCN(C(=O)NCCCN3CCC(O)CC3)C2)c1
InChIInChI=1S/C21H33N3O2/c1-17-5-2-6-18(15-17)19-7-3-12-24(16-19)21(26)22-10-4-11-23-13-8-20(25)9-14-23/h2,5-6,15,19-20,25H,3-4,7-14,16H2,1H3,(H,22,26)/t19-/m0/s1
InChIKeyGQZVBKZECWJGHU-IBGZPJMESA-N
MW359.51 g/mol
LogP2.73
Rot. Bonds5

About (3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide

(3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 126432492) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID126432492
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc([C@H]2CCCN(C(=O)NCCCN3CCC(O)CC3)C2)c1
InChIInChI=1S/C21H33N3O2/c1-17-5-2-6-18(15-17)19-7-3-12-24(16-19)21(26)22-10-4-11-23-13-8-20(25)9-14-23/h2,5-6,15,19-20,25H,3-4,7-14,16H2,1H3,(H,22,26)/t19-/m0/s1
InChIKeyGQZVBKZECWJGHU-IBGZPJMESA-N
XLogP2.73
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

US9994546, Example 87
CID 118297861
US9670210, Example 109 (3R)-1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}piperidin-3-ol
CID 118302753
US9670210, Example 110 (3S)-1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}piperidin-3-ol
CID 118302754
US9670210, Example 113 (1R,2S) inverted question markN-({4-(methoxymethyl)-1-[(4-methoxypiperidin-1-yl)carbonyl]piperidin-4-yl}methyl)-2-phenylcyclopropanamine
CID 118302789
US9670210, Example 112 1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}piperidin-4-ol
CID 118302847
1-[2-(4-Methoxypiperidin-1-yl)ethyl]-3-[2-(3-methylphenyl)propyl]urea
CID 71923771
US11485731, Example 1BG
CID 142428224
4-[(1-Benzylpiperidin-4-YL)oxy]-N-(3-ethoxypropyl)piperidine-1-carboxamide
CID 91906243
N-(1-isopentyl-4-piperidyl)-N'-phenethyl-N-tetrahydro-2H-pyran-4-ylurea
CID 91916289
4-[(1-Benzyl-4-piperidyl)oxy]-N~1~-isopentyltetrahydro-1(2H)-pyridinecarboxamide
CID 91916457
N-[2-(3,4-difluorophenyl)propyl]-4-methoxypiperidine-1-carboxamide
CID 72116234
(2R)-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-phenylethyl)piperidine-1-carboxamide
CID 125526040

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide (CID 126432492) is (3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc([C@H]2CCCN(C(=O)NCCCN3CCC(O)CC3)C2)c1.
What is the InChIKey of (3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is GQZVBKZECWJGHU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17-5-2-6-18(15-17)19-7-3-12-24(16-19)21(26)22-10-4-11-23-13-8-20(25)9-14-23/h2,5-6,15,19-20,25H,3-4,7-14,16H2,1H3,(H,22,26)/t19-/m0/s1.
What are the key properties of (3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide?
(3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 126432492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).