N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide

C25H31N3O — CID 18628693

IUPACN-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide
SMILESCC(C)CC(C(=O)NCC#N)c1cccc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C25H31N3O/c1-18(2)16-24(25(29)28-15-12-26)23-5-3-4-22(17-23)20-8-6-19(7-9-20)21-10-13-27-14-11-21/h3-9,17-18,21,24,27H,10-11,13-16H2,1-2H3,(H,28,29)
InChIKeyPVDTVYASYPQHGI-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.59
Rot. Bonds7

About N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide

N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide (PubChem CID 18628693) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide
PubChem CID18628693
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide
SMILESCC(C)CC(C(=O)NCC#N)c1cccc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C25H31N3O/c1-18(2)16-24(25(29)28-15-12-26)23-5-3-4-22(17-23)20-8-6-19(7-9-20)21-10-13-27-14-11-21/h3-9,17-18,21,24,27H,10-11,13-16H2,1-2H3,(H,28,29)
InChIKeyPVDTVYASYPQHGI-UHFFFAOYSA-N
XLogP4.59
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fenpiverinium
CID 71490
AR-M1000390
CID 9841259
Desmethyl diphenamid
CID 70381
N-phenethyl-2-phenylacetamide
CID 138516
N-(3,3-diphenylpropyl)-2-phenylacetamide
CID 1293167
N-(cyanomethyl)-4-methyl-2-(3-phenylphenyl)pentanamide
CID 9815041
N-(cyanomethyl)-4-methyl-2-{3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]phenyl}pentanamide
CID 10271564
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide
CID 18628679
2-cyclohexyl-N-phenethyl-acetamide
CID 1121089
4-[(3-Acetyl-phenyl)-piperidin-4-ylidene-methyl]-N,N-diethyl-benzamide
CID 10596575
N-[3-(morpholin-4-yl)propyl]-2,2-diphenylacetamide
CID 2166461

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide?
The IUPAC name of N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide (CID 18628693) is N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide.
What is the SMILES notation for N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide?
The canonical SMILES for N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide is CC(C)CC(C(=O)NCC#N)c1cccc(-c2ccc(C3CCNCC3)cc2)c1.
What is the InChIKey of N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide?
The InChIKey is PVDTVYASYPQHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-18(2)16-24(25(29)28-15-12-26)23-5-3-4-22(17-23)20-8-6-19(7-9-20)21-10-13-27-14-11-21/h3-9,17-18,21,24,27H,10-11,13-16H2,1-2H3,(H,28,29).
What are the key properties of N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide?
N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide has a molecular weight of 389.54 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide is sourced from PubChem (CID 18628693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).