2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide

C17H26N2O — CID 79720329

IUPAC2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCNCC1)C(=O)Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-12-19(14-16-8-10-18-11-9-16)17(20)13-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3
InChIKeyMMUABFOIASOHNV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.47
Rot. Bonds6

About 2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide

2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide (PubChem CID 79720329) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
PubChem CID79720329
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCNCC1)C(=O)Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-12-19(14-16-8-10-18-11-9-16)17(20)13-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3
InChIKeyMMUABFOIASOHNV-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
CID 79701291
2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79702214
2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79702981
N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide
CID 86976376
N-(piperidin-4-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 114290026
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
N-(cyclopropylmethyl)-3-piperidin-4-yl-N-propylpropanamide
CID 62211914
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
2-phenyl-N-(2-phenylacetyl)-N-piperidin-4-ylacetamide
CID 173425249
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608735
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
CID 78786076

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide?
The IUPAC name of 2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide (CID 79720329) is 2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide?
The canonical SMILES for 2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide is CCCN(CC1CCNCC1)C(=O)Cc1ccccc1.
What is the InChIKey of 2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide?
The InChIKey is MMUABFOIASOHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-12-19(14-16-8-10-18-11-9-16)17(20)13-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3.
What are the key properties of 2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide?
2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide has a molecular weight of 274.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide is sourced from PubChem (CID 79720329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).