3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide

C20H29N3O — CID 47036264

IUPAC3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide
SMILESCC1CCCCN1CCCCNC(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C20H29N3O/c1-17-6-2-4-14-23(17)15-5-3-13-22-20(24)12-11-18-7-9-19(16-21)10-8-18/h7-10,17H,2-6,11-15H2,1H3,(H,22,24)
InChIKeyRJDJRZGHDFVDDA-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.26
Rot. Bonds8

About 3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide

3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide (PubChem CID 47036264) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide
PubChem CID47036264
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide
SMILESCC1CCCCN1CCCCNC(=O)CCc1ccc(C#N)cc1
InChIInChI=1S/C20H29N3O/c1-17-6-2-4-14-23(17)15-5-3-13-22-20(24)12-11-18-7-9-19(16-21)10-8-18/h7-10,17H,2-6,11-15H2,1H3,(H,22,24)
InChIKeyRJDJRZGHDFVDDA-UHFFFAOYSA-N
XLogP3.26
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide
CID 94120959
3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 78876057
2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 9472760
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882625
N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 43187511
N-[4-(2-methylpiperidin-1-yl)butyl]-3-(2-nitroanilino)propanamide
CID 60516197
4-[4-(2-methylpiperidin-1-yl)butyl]phenol
CID 82187998
4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide
CID 60516245
5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide
CID 9472859
1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide (CID 47036264) is 3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide is CC1CCCCN1CCCCNC(=O)CCc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide?
The InChIKey is RJDJRZGHDFVDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-17-6-2-4-14-23(17)15-5-3-13-22-20(24)12-11-18-7-9-19(16-21)10-8-18/h7-10,17H,2-6,11-15H2,1H3,(H,22,24).
What are the key properties of 3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide?
3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide has a molecular weight of 327.47 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide is sourced from PubChem (CID 47036264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).