N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide

C16H23N3O2 — CID 62212099

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide
SMILESNC(=O)Cc1ccc(NC(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C16H23N3O2/c17-15(20)11-13-1-4-14(5-2-13)19-16(21)6-3-12-7-9-18-10-8-12/h1-2,4-5,12,18H,3,6-11H2,(H2,17,20)(H,19,21)
InChIKeyGHRBJBMKEATMOM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.43
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide

N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide (PubChem CID 62212099) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide
PubChem CID62212099
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide
SMILESNC(=O)Cc1ccc(NC(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C16H23N3O2/c17-15(20)11-13-1-4-14(5-2-13)19-16(21)6-3-12-7-9-18-10-8-12/h1-2,4-5,12,18H,3,6-11H2,(H2,17,20)(H,19,21)
InChIKeyGHRBJBMKEATMOM-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(methoxymethyl)phenyl]-3-piperidin-4-ylpropanamide
CID 175746452
N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide
CID 62211363
N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide
CID 62211718
methyl 2-[[4-(3-piperidin-4-ylpropanoylamino)phenyl]methyl]but-3-enoate
CID 59682131
N-[4-(difluoromethoxy)phenyl]-3-piperidin-4-ylpropanamide
CID 62210859
N-(3,5-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 62210143
3-piperidin-4-yl-N-quinoxalin-6-ylpropanamide
CID 62211768
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210193
N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide
CID 107680294
N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
CID 62302187
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide (CID 62212099) is N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide is NC(=O)Cc1ccc(NC(=O)CCC2CCNCC2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide?
The InChIKey is GHRBJBMKEATMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-15(20)11-13-1-4-14(5-2-13)19-16(21)6-3-12-7-9-18-10-8-12/h1-2,4-5,12,18H,3,6-11H2,(H2,17,20)(H,19,21).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62212099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).