N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide

C15H23N3O — CID 61016600

IUPACN-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC2CCNCC2)c1
InChIInChI=1S/C15H23N3O/c1-3-15(19)18-13-5-4-11(2)14(10-13)17-12-6-8-16-9-7-12/h4-5,10,12,16-17H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyBXLSWPHWLSCIMK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.51
Rot. Bonds4

About N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide

N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide (PubChem CID 61016600) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide
PubChem CID61016600
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC2CCNCC2)c1
InChIInChI=1S/C15H23N3O/c1-3-15(19)18-13-5-4-11(2)14(10-13)17-12-6-8-16-9-7-12/h4-5,10,12,16-17H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyBXLSWPHWLSCIMK-UHFFFAOYSA-N
XLogP2.51
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119725801
N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide
CID 104870299
N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide
CID 106871646
N-[4-chloro-3-(cyclopentylamino)phenyl]propanamide
CID 43679054
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43701431
N-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylphenyl]propanamide
CID 82823652
N,N,4-trimethyl-3-(piperidin-4-ylamino)benzamide
CID 54902739
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide
CID 95789092
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide?
The IUPAC name of N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide (CID 61016600) is N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide?
The canonical SMILES for N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC2CCNCC2)c1.
What is the InChIKey of N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide?
The InChIKey is BXLSWPHWLSCIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-15(19)18-13-5-4-11(2)14(10-13)17-12-6-8-16-9-7-12/h4-5,10,12,16-17H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide?
N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide is sourced from PubChem (CID 61016600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).