N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide

C17H25N3O — CID 119889712

IUPACN-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CCNC1)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C17H25N3O/c1-19(17(21)14-9-10-18-12-14)16-8-5-11-20(13-16)15-6-3-2-4-7-15/h2-4,6-7,14,16,18H,5,8-13H2,1H3
InChIKeyAEYAFMHVJMDPDM-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.72
Rot. Bonds3

About N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide

N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide (PubChem CID 119889712) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
PubChem CID119889712
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CCNC1)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C17H25N3O/c1-19(17(21)14-9-10-18-12-14)16-8-5-11-20(13-16)15-6-3-2-4-7-15/h2-4,6-7,14,16,18H,5,8-13H2,1H3
InChIKeyAEYAFMHVJMDPDM-UHFFFAOYSA-N
XLogP1.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide (CID 119889712) is N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide is CN(C(=O)C1CCNC1)C1CCCN(c2ccccc2)C1.
What is the InChIKey of N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is AEYAFMHVJMDPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(17(21)14-9-10-18-12-14)16-8-5-11-20(13-16)15-6-3-2-4-7-15/h2-4,6-7,14,16,18H,5,8-13H2,1H3.
What are the key properties of N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide?
N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119889712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).