N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide

C21H25N3O2 — CID 3218394

IUPACN-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide
SMILESO=C(Cc1ccccc1)NC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(15-17-7-3-1-4-8-17)23-19-11-13-24(14-12-19)21(26)22-16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,22,26)(H,23,25)
InChIKeyCIJLTJDCESBAAY-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.72
Rot. Bonds5

About N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide

N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide (PubChem CID 3218394) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide
PubChem CID3218394
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide
SMILESO=C(Cc1ccccc1)NC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(15-17-7-3-1-4-8-17)23-19-11-13-24(14-12-19)21(26)22-16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,22,26)(H,23,25)
InChIKeyCIJLTJDCESBAAY-UHFFFAOYSA-N
XLogP2.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide (CID 3218394) is N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide is O=C(Cc1ccccc1)NC1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide?
The InChIKey is CIJLTJDCESBAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(15-17-7-3-1-4-8-17)23-19-11-13-24(14-12-19)21(26)22-16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,22,26)(H,23,25).
What are the key properties of N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide?
N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2-phenylacetyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 3218394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).