N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide

C15H21ClN2O — CID 25181844

IUPACN-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide
SMILESCCC(=O)N(CC1CCNCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-2-15(19)18(11-12-6-8-17-9-7-12)14-5-3-4-13(16)10-14/h3-5,10,12,17H,2,6-9,11H2,1H3
InChIKeyPRMLMMOMCCVPSP-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.08
Rot. Bonds4

About N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide

N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide (PubChem CID 25181844) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide
PubChem CID25181844
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide
SMILESCCC(=O)N(CC1CCNCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-2-15(19)18(11-12-6-8-17-9-7-12)14-5-3-4-13(16)10-14/h3-5,10,12,17H,2,6-9,11H2,1H3
InChIKeyPRMLMMOMCCVPSP-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide (CID 25181844) is N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide is CCC(=O)N(CC1CCNCC1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide?
The InChIKey is PRMLMMOMCCVPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-15(19)18(11-12-6-8-17-9-7-12)14-5-3-4-13(16)10-14/h3-5,10,12,17H,2,6-9,11H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide?
N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide has a molecular weight of 280.80 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide is sourced from PubChem (CID 25181844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).