1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide

C26H32N2O — CID 110083847

IUPAC1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(CC2CC2)CC1
InChIInChI=1S/C26H32N2O/c1-2-16-27-25(29)26(14-17-28(18-15-26)20-22-8-9-22)19-21-10-12-24(13-11-21)23-6-4-3-5-7-23/h2-7,10-13,22H,1,8-9,14-20H2,(H,27,29)
InChIKeyRPTYAVKWQKXMIK-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.69
Rot. Bonds8

About 1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide

1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 110083847) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID110083847
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(CC2CC2)CC1
InChIInChI=1S/C26H32N2O/c1-2-16-27-25(29)26(14-17-28(18-15-26)20-22-8-9-22)19-21-10-12-24(13-11-21)23-6-4-3-5-7-23/h2-7,10-13,22H,1,8-9,14-20H2,(H,27,29)
InChIKeyRPTYAVKWQKXMIK-UHFFFAOYSA-N
XLogP4.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide (CID 110083847) is 1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is RPTYAVKWQKXMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-2-16-27-25(29)26(14-17-28(18-15-26)20-22-8-9-22)19-21-10-12-24(13-11-21)23-6-4-3-5-7-23/h2-7,10-13,22H,1,8-9,14-20H2,(H,27,29).
What are the key properties of 1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide?
1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 110083847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).