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

C18H29ClN2O — CID 119688188

IUPACN-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccccc1CCNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14-6-3-4-7-16(14)9-11-20-18(21)12-15(2)17-8-5-10-19-13-17;/h3-4,6-7,15,17,19H,5,8-13H2,1-2H3,(H,20,21);1H
InChIKeyILGXNMLAGXVECF-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.10
Rot. Bonds6

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

N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119688188) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119688188
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccccc1CCNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14-6-3-4-7-16(14)9-11-20-18(21)12-15(2)17-8-5-10-19-13-17;/h3-4,6-7,15,17,19H,5,8-13H2,1-2H3,(H,20,21);1H
InChIKeyILGXNMLAGXVECF-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119774521
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-[2-(N-ethyl-2-methylanilino)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119853418
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119888838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119688188) is N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is Cc1ccccc1CCNC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is ILGXNMLAGXVECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-14-6-3-4-7-16(14)9-11-20-18(21)12-15(2)17-8-5-10-19-13-17;/h3-4,6-7,15,17,19H,5,8-13H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.10, 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-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119688188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).