2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide

C21H25N3O3 — CID 72885918

IUPAC2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide
SMILESNC(=O)CC1CCCCN1C(=O)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H25N3O3/c22-20(25)14-18-10-4-5-12-24(18)21(26)23-17-9-6-11-19(13-17)27-15-16-7-2-1-3-8-16/h1-3,6-9,11,13,18H,4-5,10,12,14-15H2,(H2,22,25)(H,23,26)
InChIKeyYDQOJLKGODRCBE-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.53
Rot. Bonds6

About 2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide

2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide (PubChem CID 72885918) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide
PubChem CID72885918
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide
SMILESNC(=O)CC1CCCCN1C(=O)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H25N3O3/c22-20(25)14-18-10-4-5-12-24(18)21(26)23-17-9-6-11-19(13-17)27-15-16-7-2-1-3-8-16/h1-3,6-9,11,13,18H,4-5,10,12,14-15H2,(H2,22,25)(H,23,26)
InChIKeyYDQOJLKGODRCBE-UHFFFAOYSA-N
XLogP3.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104603
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
2-methyl-N-(4-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 3853600
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
N-[(3-phenylmethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 17086173
2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 51134992
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
CID 61186973
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
CID 138398426
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
(3aR,5R,6S,7aS)-5,6-dihydroxy-N-(3-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 72912891
2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide
CID 97157820

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide (CID 72885918) is 2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide is NC(=O)CC1CCCCN1C(=O)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is YDQOJLKGODRCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-20(25)14-18-10-4-5-12-24(18)21(26)23-17-9-6-11-19(13-17)27-15-16-7-2-1-3-8-16/h1-3,6-9,11,13,18H,4-5,10,12,14-15H2,(H2,22,25)(H,23,26).
What are the key properties of 2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide?
2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 72885918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).