3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride

C18H29ClN2O — CID 119672812

IUPAC3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(2)15-4-6-17(7-5-15)20-18(21)12-14(3)16-8-10-19-11-9-16;/h4-7,13-14,16,19H,8-12H2,1-3H3,(H,20,21);1H
InChIKeyYQKHGYSRLKHBNQ-UHFFFAOYSA-N
MW324.90 g/mol
LogP4.20
Rot. Bonds5

About 3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride

3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride (PubChem CID 119672812) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
PubChem CID119672812
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(2)15-4-6-17(7-5-15)20-18(21)12-14(3)16-8-10-19-11-9-16;/h4-7,13-14,16,19H,8-12H2,1-3H3,(H,20,21);1H
InChIKeyYQKHGYSRLKHBNQ-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride
CID 119788959
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119669006
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride
CID 119775698

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride (CID 119672812) is 3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride is CC(C)c1ccc(NC(=O)CC(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of 3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride?
The InChIKey is YQKHGYSRLKHBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-13(2)15-4-6-17(7-5-15)20-18(21)12-14(3)16-8-10-19-11-9-16;/h4-7,13-14,16,19H,8-12H2,1-3H3,(H,20,21);1H.
What are the key properties of 3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride?
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119672812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).