N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide

C15H22ClN3O — CID 80553647

IUPACN-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NCC2CCCNC2)c1
InChIInChI=1S/C15H22ClN3O/c1-2-15(20)19-12-5-6-13(16)14(8-12)18-10-11-4-3-7-17-9-11/h5-6,8,11,17-18H,2-4,7,9-10H2,1H3,(H,19,20)
InChIKeyWEVZLWGCCJIUPK-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.10
Rot. Bonds5

About N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide

N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide (PubChem CID 80553647) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide
PubChem CID80553647
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NCC2CCCNC2)c1
InChIInChI=1S/C15H22ClN3O/c1-2-15(20)19-12-5-6-13(16)14(8-12)18-10-11-4-3-7-17-9-11/h5-6,8,11,17-18H,2-4,7,9-10H2,1H3,(H,19,20)
InChIKeyWEVZLWGCCJIUPK-UHFFFAOYSA-N
XLogP3.10
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(cyclopentylamino)phenyl]propanamide
CID 43679054
2-chloro-5-(piperidin-3-ylmethylamino)benzoic acid
CID 80554039
N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43701431
methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate
CID 62676837
N-[4-chloro-3-[(2-methylcyclopentyl)amino]phenyl]propanamide
CID 65044068
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815619
N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
CID 114259816
N-[4-chloro-3-(prop-2-ynylamino)phenyl]propanamide
CID 63952872
2-chloro-4-fluoro-5-methyl-N-(piperidin-3-ylmethyl)aniline
CID 112734596
4-chloro-3-nitro-N-(piperidin-3-ylmethyl)aniline
CID 80554162
4-chloro-3-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675976
N-(4-tert-butylphenyl)-2-piperidin-3-ylacetamide
CID 62690880

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide?
The IUPAC name of N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide (CID 80553647) is N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(NCC2CCCNC2)c1.
What is the InChIKey of N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide?
The InChIKey is WEVZLWGCCJIUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-15(20)19-12-5-6-13(16)14(8-12)18-10-11-4-3-7-17-9-11/h5-6,8,11,17-18H,2-4,7,9-10H2,1H3,(H,19,20).
What are the key properties of N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide?
N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide has a molecular weight of 295.81 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(piperidin-3-ylmethylamino)phenyl]propanamide is sourced from PubChem (CID 80553647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).