1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide

C24H30N2O3 — CID 49403155

IUPAC1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)COC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H30N2O3/c1-2-15-25-24(28)21-14-9-16-26(17-21)22(27)18-29-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,21,23H,2,9,14-18H2,1H3,(H,25,28)
InChIKeyNJFSUKSLXVCRIC-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.56
Rot. Bonds8

About 1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide

1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide (PubChem CID 49403155) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is 1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide
PubChem CID49403155
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)COC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H30N2O3/c1-2-15-25-24(28)21-14-9-16-26(17-21)22(27)18-29-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,21,23H,2,9,14-18H2,1H3,(H,25,28)
InChIKeyNJFSUKSLXVCRIC-UHFFFAOYSA-N
XLogP3.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895787
1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403328
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide
CID 49401442
1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403003
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 36512164
1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 72923133
ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 134048726
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
(3S)-1-[2-(benzotriazol-1-yl)acetyl]-N-propylpiperidine-3-carboxamide
CID 94366754
1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide
CID 49402998

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide (CID 49403155) is 1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(C(=O)COC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide?
The InChIKey is NJFSUKSLXVCRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-2-15-25-24(28)21-14-9-16-26(17-21)22(27)18-29-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,21,23H,2,9,14-18H2,1H3,(H,25,28).
What are the key properties of 1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide?
1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide has a molecular weight of 394.51 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 49403155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).