N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

C27H30N4O — CID 110083896

IUPACN-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESC=CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C27H30N4O/c1-2-12-30-26(32)27(10-17-31(18-11-27)21-22-6-13-28-14-7-22)20-23-4-3-5-25(19-23)24-8-15-29-16-9-24/h2-9,13-16,19H,1,10-12,17-18,20-21H2,(H,30,32)
InChIKeyWNLVYOFGWUCAFM-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.27
Rot. Bonds8

About N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110083896) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110083896
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC NameN-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESC=CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C27H30N4O/c1-2-12-30-26(32)27(10-17-31(18-11-27)21-22-6-13-28-14-7-22)20-23-4-3-5-25(19-23)24-8-15-29-16-9-24/h2-9,13-16,19H,1,10-12,17-18,20-21H2,(H,30,32)
InChIKeyWNLVYOFGWUCAFM-UHFFFAOYSA-N
XLogP4.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084020
N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083793
4-[[4-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enyl-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 110082403
N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805760
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 92605591
N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110088142
1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide
CID 110083847
1-(cyclohexanecarbonyl)-N-ethyl-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805756
N-prop-2-enyl-1-(pyridin-2-ylmethyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083794
1-(2,2-dimethylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084027
1-(2-methylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084022
(3R)-1-(2,2-dimethylpropanoyl)-N-prop-2-enyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 95850985

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 110083896) is N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is C=CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WNLVYOFGWUCAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-2-12-30-26(32)27(10-17-31(18-11-27)21-22-6-13-28-14-7-22)20-23-4-3-5-25(19-23)24-8-15-29-16-9-24/h2-9,13-16,19H,1,10-12,17-18,20-21H2,(H,30,32).
What are the key properties of N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).