3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride

C19H31ClN2O — CID 119825433

IUPAC3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
SMILESCCCN(C(=O)CC(C)(C)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-4-14-21(17-10-12-20-13-11-17)18(22)15-19(2,3)16-8-6-5-7-9-16;/h5-9,17,20H,4,10-15H2,1-3H3;1H
InChIKeyHHRBTNSMKRRMAI-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.77
Rot. Bonds6

About 3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride

3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride (PubChem CID 119825433) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
PubChem CID119825433
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
SMILESCCCN(C(=O)CC(C)(C)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-4-14-21(17-10-12-20-13-11-17)18(22)15-19(2,3)16-8-6-5-7-9-16;/h5-9,17,20H,4,10-15H2,1-3H3;1H
InChIKeyHHRBTNSMKRRMAI-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide
CID 119825434
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532226
2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide
CID 60806254
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337
4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437610
3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid
CID 62935444
3,3,3-trifluoro-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824721
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824866
2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825872
2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 119826378
N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119825007

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
The IUPAC name of 3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride (CID 119825433) is 3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride.
What is the SMILES notation for 3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
The canonical SMILES for 3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride is CCCN(C(=O)CC(C)(C)c1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of 3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
The InChIKey is HHRBTNSMKRRMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-4-14-21(17-10-12-20-13-11-17)18(22)15-19(2,3)16-8-6-5-7-9-16;/h5-9,17,20H,4,10-15H2,1-3H3;1H.
What are the key properties of 3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride is sourced from PubChem (CID 119825433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).