N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide

C18H28N2O — CID 119688197

IUPACN-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccccc1CCNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H28N2O/c1-14-5-3-4-6-16(14)9-12-20-18(21)13-15(2)17-7-10-19-11-8-17/h3-6,15,17,19H,7-13H2,1-2H3,(H,20,21)
InChIKeyPXNAWLJFIQOJRC-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide

N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119688197) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119688197
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccccc1CCNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H28N2O/c1-14-5-3-4-6-16(14)9-12-20-18(21)13-15(2)17-7-10-19-11-8-17/h3-6,15,17,19H,7-13H2,1-2H3,(H,20,21)
InChIKeyPXNAWLJFIQOJRC-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119781349
N-[2-(2,3-dichlorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119736274
N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119737978
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119732891
N-[2-(2,6-difluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722580
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide (CID 119688197) is N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide is Cc1ccccc1CCNC(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is PXNAWLJFIQOJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-5-3-4-6-16(14)9-12-20-18(21)13-15(2)17-7-10-19-11-8-17/h3-6,15,17,19H,7-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide?
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 288.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119688197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).