N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide

C21H26N2O2 — CID 110895013

IUPACN-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C21H26N2O2/c24-16-17-8-7-13-23(15-17)21(25)22-14-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,17,20,24H,7-8,13-16H2,(H,22,25)
InChIKeyYXUCEIYEBGTAAS-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.23
Rot. Bonds5

About N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide

N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110895013) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110895013
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C21H26N2O2/c24-16-17-8-7-13-23(15-17)21(25)22-14-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,17,20,24H,7-8,13-16H2,(H,22,25)
InChIKeyYXUCEIYEBGTAAS-UHFFFAOYSA-N
XLogP3.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 96545860
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517
(3R)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96997784
3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 110922235
3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 110894997
(3S)-3-(hydroxymethyl)-N-[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxamide
CID 99832587
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 110900914
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 110895013) is N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)N1CCCC(CO)C1.
What is the InChIKey of N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is YXUCEIYEBGTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-16-17-8-7-13-23(15-17)21(25)22-14-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,17,20,24H,7-8,13-16H2,(H,22,25).
What are the key properties of N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110895013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).