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

C18H29ClN2O — CID 119824337

IUPAC3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
SMILESCCCN(C(=O)CC(C)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-3-13-20(17-9-11-19-12-10-17)18(21)14-15(2)16-7-5-4-6-8-16;/h4-8,15,17,19H,3,9-14H2,1-2H3;1H
InChIKeyGXCOZZMYNOLOLE-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.59
Rot. Bonds6

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

3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride (PubChem CID 119824337) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
PubChem CID119824337
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
SMILESCCCN(C(=O)CC(C)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-3-13-20(17-9-11-19-12-10-17)18(21)14-15(2)16-7-5-4-6-8-16;/h4-8,15,17,19H,3,9-14H2,1-2H3;1H
InChIKeyGXCOZZMYNOLOLE-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119825007
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825433
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide
CID 119825434
3-ethyl-N-piperidin-4-yl-N-propylpentanamide;hydrochloride
CID 119824289
2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825872
N-piperidin-4-yl-2-(2-propan-2-yloxyphenyl)-N-propylacetamide
CID 119823731
3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 137047169
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532226

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
The IUPAC name of 3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride (CID 119824337) is 3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride.
What is the SMILES notation for 3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
The canonical SMILES for 3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride is CCCN(C(=O)CC(C)c1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of 3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
The InChIKey is GXCOZZMYNOLOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-3-13-20(17-9-11-19-12-10-17)18(21)14-15(2)16-7-5-4-6-8-16;/h4-8,15,17,19H,3,9-14H2,1-2H3;1H.
What are the key properties of 3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride is sourced from PubChem (CID 119824337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).