5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide

C20H32N2O — CID 119823684

IUPAC5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide
SMILESCCCN(C(=O)CCCCc1ccc(C)cc1)C1CCNCC1
InChIInChI=1S/C20H32N2O/c1-3-16-22(19-12-14-21-15-13-19)20(23)7-5-4-6-18-10-8-17(2)9-11-18/h8-11,19,21H,3-7,12-16H2,1-2H3
InChIKeyRRRHGZGVAYTTDK-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.70
Rot. Bonds8

About 5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide

5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide (PubChem CID 119823684) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide
PubChem CID119823684
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide
SMILESCCCN(C(=O)CCCCc1ccc(C)cc1)C1CCNCC1
InChIInChI=1S/C20H32N2O/c1-3-16-22(19-12-14-21-15-13-19)20(23)7-5-4-6-18-10-8-17(2)9-11-18/h8-11,19,21H,3-7,12-16H2,1-2H3
InChIKeyRRRHGZGVAYTTDK-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
CID 119824702
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
CID 119443928
4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824958
N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide
CID 119823717
3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825475
3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825474
3-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825341
3-naphthalen-2-yl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825837
5-methyl-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 60805408
2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799979
3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide?
The IUPAC name of 5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide (CID 119823684) is 5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide?
The canonical SMILES for 5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide is CCCN(C(=O)CCCCc1ccc(C)cc1)C1CCNCC1.
What is the InChIKey of 5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide?
The InChIKey is RRRHGZGVAYTTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-16-22(19-12-14-21-15-13-19)20(23)7-5-4-6-18-10-8-17(2)9-11-18/h8-11,19,21H,3-7,12-16H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide?
5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide has a molecular weight of 316.49 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide is sourced from PubChem (CID 119823684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).