N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride

C17H26ClN3O2 — CID 119725801

IUPACN-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)CC2CCNCC2)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-16(21)19-14-5-4-12(2)15(11-14)20-17(22)10-13-6-8-18-9-7-13;/h4-5,11,13,18H,3,6-10H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyGCVRCKPPFGKNEW-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.09
Rot. Bonds5

About N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride

N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride (PubChem CID 119725801) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride
PubChem CID119725801
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)CC2CCNCC2)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-16(21)19-14-5-4-12(2)15(11-14)20-17(22)10-13-6-8-18-9-7-13;/h4-5,11,13,18H,3,6-10H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyGCVRCKPPFGKNEW-UHFFFAOYSA-N
XLogP3.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide
CID 61016600
N-(3-fluoro-4-methylphenyl)-2-piperidin-4-ylacetamide
CID 24690499
N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029345
N-(3-acetamido-4-methylphenyl)-2-(azetidin-3-yl)acetamide
CID 64618777
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725781
N-(3-methyl-4-pyridinyl)-2-piperidin-4-ylacetamide
CID 119876314
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
N-(2-hydroxy-3-methylphenyl)-2-piperidin-4-ylacetamide
CID 79602863

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride?
The IUPAC name of N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride (CID 119725801) is N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride is CCC(=O)Nc1ccc(C)c(NC(=O)CC2CCNCC2)c1.Cl.
What is the InChIKey of N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride?
The InChIKey is GCVRCKPPFGKNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-3-16(21)19-14-5-4-12(2)15(11-14)20-17(22)10-13-6-8-18-9-7-13;/h4-5,11,13,18H,3,6-10H2,1-2H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride?
N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119725801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).