2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide

C21H32N4O2 — CID 87003126

IUPAC2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESCCCN(CC1CC1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H32N4O2/c1-2-12-25(15-17-8-9-17)21(27)23-19-10-13-24(14-11-19)16-20(26)22-18-6-4-3-5-7-18/h3-7,17,19H,2,8-16H2,1H3,(H,22,26)(H,23,27)
InChIKeyHMUPYXBMVINNEJ-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.92
Rot. Bonds8

About 2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide

2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide (PubChem CID 87003126) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide
PubChem CID87003126
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESCCCN(CC1CC1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H32N4O2/c1-2-12-25(15-17-8-9-17)21(27)23-19-10-13-24(14-11-19)16-20(26)22-18-6-4-3-5-7-18/h3-7,17,19H,2,8-16H2,1H3,(H,22,26)(H,23,27)
InChIKeyHMUPYXBMVINNEJ-UHFFFAOYSA-N
XLogP2.92
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
2-[4-[acetyl(ethyl)amino]piperidin-1-yl]-N-phenylacetamide
CID 70256212
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
2-(4-ethoxypiperidin-1-yl)-N-phenylacetamide
CID 47358518
1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea
CID 87003316

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide (CID 87003126) is 2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide is CCCN(CC1CC1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is HMUPYXBMVINNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-2-12-25(15-17-8-9-17)21(27)23-19-10-13-24(14-11-19)16-20(26)22-18-6-4-3-5-7-18/h3-7,17,19H,2,8-16H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide?
2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 372.51 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclopropylmethyl(propyl)carbamoyl]amino]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 87003126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).