(2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide

C22H27N3O2 — CID 95728140

IUPAC(2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
SMILESCC(=O)NCC[C@@H]1CCCCN1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-17(26)23-15-14-19-11-7-8-16-25(19)22(27)24-21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-6,9-10,12-13,19H,7-8,11,14-16H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyRYRXOMCRTXXIDP-IBGZPJMESA-N
MW365.48 g/mol
LogP4.27
Rot. Bonds5

About (2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide

(2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide (PubChem CID 95728140) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
PubChem CID95728140
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
SMILESCC(=O)NCC[C@@H]1CCCCN1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-17(26)23-15-14-19-11-7-8-16-25(19)22(27)24-21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-6,9-10,12-13,19H,7-8,11,14-16H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyRYRXOMCRTXXIDP-IBGZPJMESA-N
XLogP4.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide
CID 72846773
2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4097803
N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 97117572
N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70786735
2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61190378
N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide
CID 97125151
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
(2R)-1-N-phenyl-2-N-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51687470
(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide
CID 125168729
N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
2-(2-hydroxyethyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide
CID 108813170
(2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide
CID 124615062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide (CID 95728140) is (2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide is CC(=O)NCC[C@@H]1CCCCN1C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide?
The InChIKey is RYRXOMCRTXXIDP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17(26)23-15-14-19-11-7-8-16-25(19)22(27)24-21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-6,9-10,12-13,19H,7-8,11,14-16H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide?
(2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 95728140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).