N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C24H28N2O3 — CID 55633091

IUPACN-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESO=C(COc1ccccc1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1
InChIInChI=1S/C24H28N2O3/c27-23(18-29-22-9-5-2-6-10-22)25-15-13-20(14-16-25)24(28)26(21-11-12-21)17-19-7-3-1-4-8-19/h1-10,20-21H,11-18H2
InChIKeyRKXJZXHUTWGTBF-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.50
Rot. Bonds7

About N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55633091) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55633091
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESO=C(COc1ccccc1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1
InChIInChI=1S/C24H28N2O3/c27-23(18-29-22-9-5-2-6-10-22)25-15-13-20(14-16-25)24(28)26(21-11-12-21)17-19-7-3-1-4-8-19/h1-10,20-21H,11-18H2
InChIKeyRKXJZXHUTWGTBF-UHFFFAOYSA-N
XLogP3.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(4-methylcyclohexyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55632173
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 60579640
2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid
CID 119195099
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
CID 120563140
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410310

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55633091) is N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide is O=C(COc1ccccc1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is RKXJZXHUTWGTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-23(18-29-22-9-5-2-6-10-22)25-15-13-20(14-16-25)24(28)26(21-11-12-21)17-19-7-3-1-4-8-19/h1-10,20-21H,11-18H2.
What are the key properties of N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55633091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).