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

C20H29N3O — CID 94120959

IUPAC3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide
SMILESC[C@H]1CCCN(CCCCNC(=O)CCc2ccc(C#N)cc2)C1
InChIInChI=1S/C20H29N3O/c1-17-5-4-14-23(16-17)13-3-2-12-22-20(24)11-10-18-6-8-19(15-21)9-7-18/h6-9,17H,2-5,10-14,16H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyOKAPIZAEKMXJRZ-KRWDZBQOSA-N
MW327.47 g/mol
LogP3.12
Rot. Bonds8

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

3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide (PubChem CID 94120959) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide
PubChem CID94120959
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide
SMILESC[C@H]1CCCN(CCCCNC(=O)CCc2ccc(C#N)cc2)C1
InChIInChI=1S/C20H29N3O/c1-17-5-4-14-23(16-17)13-3-2-12-22-20(24)11-10-18-6-8-19(15-21)9-7-18/h6-9,17H,2-5,10-14,16H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyOKAPIZAEKMXJRZ-KRWDZBQOSA-N
XLogP3.12
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 ≤ 53.12
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

3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 133199627
3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide
CID 47036264
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide
CID 55849136
N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717679
3-(4-cyanophenyl)-N-[2-[7-[2-(4-cyanophenyl)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]propanamide
CID 69401630
5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
CID 86889175
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55735202
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111229708
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 125060384

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide (CID 94120959) is 3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide is C[C@H]1CCCN(CCCCNC(=O)CCc2ccc(C#N)cc2)C1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide?
The InChIKey is OKAPIZAEKMXJRZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O/c1-17-5-4-14-23(16-17)13-3-2-12-22-20(24)11-10-18-6-8-19(15-21)9-7-18/h6-9,17H,2-5,10-14,16H2,1H3,(H,22,24)/t17-/m0/s1.
What are the key properties of 3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide?
3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide has a molecular weight of 327.47 g/mol, XLogP of 3.12, 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-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide is sourced from PubChem (CID 94120959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).