(3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide

C18H24N4O2 — CID 95969134

IUPAC(3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@@H](CO)C1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H24N4O2/c1-14(20-18(24)21-8-3-4-15(11-21)12-23)16-5-2-6-17(10-16)22-9-7-19-13-22/h2,5-7,9-10,13-15,23H,3-4,8,11-12H2,1H3,(H,20,24)/t14-,15+/m0/s1
InChIKeyLCRGWPYISBDDNW-LSDHHAIUSA-N
MW328.42 g/mol
LogP2.35
Rot. Bonds4

About (3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide

(3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 95969134) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID95969134
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC[C@@H](CO)C1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H24N4O2/c1-14(20-18(24)21-8-3-4-15(11-21)12-23)16-5-2-6-17(10-16)22-9-7-19-13-22/h2,5-7,9-10,13-15,23H,3-4,8,11-12H2,1H3,(H,20,24)/t14-,15+/m0/s1
InChIKeyLCRGWPYISBDDNW-LSDHHAIUSA-N
XLogP2.35
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969150
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
1-cyclopentyl-N-[1-(3-imidazol-1-ylphenyl)ethyl]piperidin-4-amine
CID 154750461
(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 122147578
(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637803
5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 99817467
1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95969128
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
(3S)-3-[(carbamoylamino)methyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-1-carboxamide
CID 95761695
(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 97089146

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide (CID 95969134) is (3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC[C@@H](CO)C1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is LCRGWPYISBDDNW-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(20-18(24)21-8-3-4-15(11-21)12-23)16-5-2-6-17(10-16)22-9-7-19-13-22/h2,5-7,9-10,13-15,23H,3-4,8,11-12H2,1H3,(H,20,24)/t14-,15+/m0/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide?
(3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 95969134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).