N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H33ClN2O — CID 119808542

IUPACN-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCc1ccc(C(C)(C)NC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-5-16-6-8-18(9-7-16)20(3,4)22-19(23)14-15(2)17-10-12-21-13-11-17;/h6-9,15,17,21H,5,10-14H2,1-4H3,(H,22,23);1H
InChIKeyGBBBIFHMYWCWPX-UHFFFAOYSA-N
MW352.95 g/mol
LogP4.05
Rot. Bonds6

About N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119808542) has the molecular formula C20H33ClN2O and a molecular weight of 352.95 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119808542
Molecular FormulaC20H33ClN2O
Molecular Weight352.95 g/mol
Exact Mass352.23
IUPAC NameN-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCc1ccc(C(C)(C)NC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-5-16-6-8-18(9-7-16)20(3,4)22-19(23)14-15(2)17-10-12-21-13-11-17;/h6-9,15,17,21H,5,10-14H2,1-4H3,(H,22,23);1H
InChIKeyGBBBIFHMYWCWPX-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.95
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795645
N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119763294
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733513
3-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 119858708
N-[2-(4-nitrophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119814380
N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119337743
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862946
N-(1-methoxy-2-methylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119760987
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119808542) is N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride is CCc1ccc(C(C)(C)NC(=O)CC(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is GBBBIFHMYWCWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O.ClH/c1-5-16-6-8-18(9-7-16)20(3,4)22-19(23)14-15(2)17-10-12-21-13-11-17;/h6-9,15,17,21H,5,10-14H2,1-4H3,(H,22,23);1H.
What are the key properties of N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 352.95 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119808542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).