N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide

C23H38N2O — CID 42708114

IUPACN-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide
SMILESCCCCCC(=O)N(CCCN1CCCCC1C)Cc1ccc(C)cc1
InChIInChI=1S/C23H38N2O/c1-4-5-6-11-23(26)25(19-22-14-12-20(2)13-15-22)18-9-17-24-16-8-7-10-21(24)3/h12-15,21H,4-11,16-19H2,1-3H3
InChIKeySOXHCQCSFKQWKX-UHFFFAOYSA-N
MW358.57 g/mol
LogP5.17
Rot. Bonds10

About N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide

N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide (PubChem CID 42708114) has the molecular formula C23H38N2O and a molecular weight of 358.57 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide
PubChem CID42708114
Molecular FormulaC23H38N2O
Molecular Weight358.57 g/mol
Exact Mass358.30
IUPAC NameN-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide
SMILESCCCCCC(=O)N(CCCN1CCCCC1C)Cc1ccc(C)cc1
InChIInChI=1S/C23H38N2O/c1-4-5-6-11-23(26)25(19-22-14-12-20(2)13-15-22)18-9-17-24-16-8-7-10-21(24)3/h12-15,21H,4-11,16-19H2,1-3H3
InChIKeySOXHCQCSFKQWKX-UHFFFAOYSA-N
XLogP5.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 42708132
2-methyl-1-pentylazepane
CID 134994557
N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 42701623
3-(2-methylphenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]-1-(pyridin-4-ylmethyl)urea
CID 42700766
3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 42708840
N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide
CID 86879333
N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42708491
4-[4-(2-methylpiperidin-1-yl)butyl]phenol
CID 82187998
1-dodecyl-2-methylpiperidine;methanesulfonic acid
CID 175583651
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 111123253
1-[(3,4-dimethoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylurea
CID 42700747
1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42708841

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide (CID 42708114) is N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide is CCCCCC(=O)N(CCCN1CCCCC1C)Cc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide?
The InChIKey is SOXHCQCSFKQWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O/c1-4-5-6-11-23(26)25(19-22-14-12-20(2)13-15-22)18-9-17-24-16-8-7-10-21(24)3/h12-15,21H,4-11,16-19H2,1-3H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide?
N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide has a molecular weight of 358.57 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide is sourced from PubChem (CID 42708114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).