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

C18H28N2O — CID 119789313

IUPACN-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccc(CCNC(=O)CC(C)C2CCNCC2)cc1
InChIInChI=1S/C18H28N2O/c1-14-3-5-16(6-4-14)7-12-20-18(21)13-15(2)17-8-10-19-11-9-17/h3-6,15,17,19H,7-13H2,1-2H3,(H,20,21)
InChIKeyRVMGACQERMBJEJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.68
Rot. Bonds6

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

N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119789313) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119789313
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccc(CCNC(=O)CC(C)C2CCNCC2)cc1
InChIInChI=1S/C18H28N2O/c1-14-3-5-16(6-4-14)7-12-20-18(21)13-15(2)17-8-10-19-11-9-17/h3-6,15,17,19H,7-13H2,1-2H3,(H,20,21)
InChIKeyRVMGACQERMBJEJ-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-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119732891
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
N-[2-(2,6-difluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722580
N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119699596
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide
CID 119866502
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-[2-(2,3-dichlorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119736274
N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119754667
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide (CID 119789313) is N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide is Cc1ccc(CCNC(=O)CC(C)C2CCNCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is RVMGACQERMBJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-3-5-16(6-4-14)7-12-20-18(21)13-15(2)17-8-10-19-11-9-17/h3-6,15,17,19H,7-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide?
N-[2-(4-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-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119789313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).