1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide

C22H28N2O3 — CID 72877644

IUPAC1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)C3CCCCN3CCCO)c2)c1
InChIInChI=1S/C22H28N2O3/c1-27-20-10-5-8-18(16-20)17-7-4-9-19(15-17)23-22(26)21-11-2-3-12-24(21)13-6-14-25/h4-5,7-10,15-16,21,25H,2-3,6,11-14H2,1H3,(H,23,26)
InChIKeyAKUAKYJEGIPJNW-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.54
Rot. Bonds7

About 1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide

1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide (PubChem CID 72877644) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide
PubChem CID72877644
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)C3CCCCN3CCCO)c2)c1
InChIInChI=1S/C22H28N2O3/c1-27-20-10-5-8-18(16-20)17-7-4-9-19(15-17)23-22(26)21-11-2-3-12-24(21)13-6-14-25/h4-5,7-10,15-16,21,25H,2-3,6,11-14H2,1H3,(H,23,26)
InChIKeyAKUAKYJEGIPJNW-UHFFFAOYSA-N
XLogP3.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 72887571
benzyl (2S)-2-[[3-(3-methoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582416
(2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide
CID 42393535
1-[3-(3-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224106
(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 72849322
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 25286689
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
CID 72853141
N-[3-(3-methoxyphenyl)phenyl]-1-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 25309891
2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62654790
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide (CID 72877644) is 1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide is COc1cccc(-c2cccc(NC(=O)C3CCCCN3CCCO)c2)c1.
What is the InChIKey of 1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide?
The InChIKey is AKUAKYJEGIPJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-27-20-10-5-8-18(16-20)17-7-4-9-19(15-17)23-22(26)21-11-2-3-12-24(21)13-6-14-25/h4-5,7-10,15-16,21,25H,2-3,6,11-14H2,1H3,(H,23,26).
What are the key properties of 1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide?
1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 72877644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).