1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide

C16H24N4O2 — CID 119872163

IUPAC1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
SMILESNCCC(=O)Nc1ccc(CN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C16H24N4O2/c17-8-7-15(21)19-14-5-3-12(4-6-14)10-20-9-1-2-13(11-20)16(18)22/h3-6,13H,1-2,7-11,17H2,(H2,18,22)(H,19,21)
InChIKeyHDRUNKKFSSFQIY-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.67
Rot. Bonds6

About 1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide

1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119872163) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119872163
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
SMILESNCCC(=O)Nc1ccc(CN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C16H24N4O2/c17-8-7-15(21)19-14-5-3-12(4-6-14)10-20-9-1-2-13(11-20)16(18)22/h3-6,13H,1-2,7-11,17H2,(H2,18,22)(H,19,21)
InChIKeyHDRUNKKFSSFQIY-UHFFFAOYSA-N
XLogP0.67
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
1-[[4-[3-(2-aminophenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 120612866
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide
CID 56509678
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507529
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 52523404
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
1-[[4-[(2-amino-3-phenylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872112
1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506880
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56509542

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide (CID 119872163) is 1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide is NCCC(=O)Nc1ccc(CN2CCCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is HDRUNKKFSSFQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c17-8-7-15(21)19-14-5-3-12(4-6-14)10-20-9-1-2-13(11-20)16(18)22/h3-6,13H,1-2,7-11,17H2,(H2,18,22)(H,19,21).
What are the key properties of 1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide?
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119872163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).