3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide

C18H28N2O — CID 79701291

IUPAC3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
SMILESCCCN(CC1CCNCC1)C(=O)CCc1ccccc1
InChIInChI=1S/C18H28N2O/c1-2-14-20(15-17-10-12-19-13-11-17)18(21)9-8-16-6-4-3-5-7-16/h3-7,17,19H,2,8-15H2,1H3
InChIKeyQISGNUVDXJCEIN-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.86
Rot. Bonds7

About 3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide

3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide (PubChem CID 79701291) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide.

Molecular Properties

Compound Name3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
PubChem CID79701291
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
SMILESCCCN(CC1CCNCC1)C(=O)CCc1ccccc1
InChIInChI=1S/C18H28N2O/c1-2-14-20(15-17-10-12-19-13-11-17)18(21)9-8-16-6-4-3-5-7-16/h3-7,17,19H,2,8-15H2,1H3
InChIKeyQISGNUVDXJCEIN-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79720329
N-(piperidin-4-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 114290026
2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79702981
2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79702214
N-(cyclopropylmethyl)-3-piperidin-4-yl-N-propylpropanamide
CID 62211914
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 106628128
N-(piperidin-4-ylmethyl)-N-propylpent-4-enamide
CID 79721360
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
N-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79720984
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 106628102
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide?
The IUPAC name of 3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide (CID 79701291) is 3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide.
What is the SMILES notation for 3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide?
The canonical SMILES for 3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide is CCCN(CC1CCNCC1)C(=O)CCc1ccccc1.
What is the InChIKey of 3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide?
The InChIKey is QISGNUVDXJCEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-14-20(15-17-10-12-19-13-11-17)18(21)9-8-16-6-4-3-5-7-16/h3-7,17,19H,2,8-15H2,1H3.
What are the key properties of 3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide?
3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide has a molecular weight of 288.43 g/mol, XLogP of 2.86, 7 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-ylmethyl)-N-propylpropanamide is sourced from PubChem (CID 79701291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).