N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide

C16H21N3O3 — CID 110178664

IUPACN-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide
SMILESCC(=O)CC(=O)Nc1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H21N3O3/c1-12(20)11-15(21)17-13-5-7-14(8-6-13)18-16(22)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyYOSVCLVSJZXVTQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.62
Rot. Bonds4

About N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide

N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide (PubChem CID 110178664) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide
PubChem CID110178664
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide
SMILESCC(=O)CC(=O)Nc1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H21N3O3/c1-12(20)11-15(21)17-13-5-7-14(8-6-13)18-16(22)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyYOSVCLVSJZXVTQ-UHFFFAOYSA-N
XLogP2.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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N-[4-(but-2-ynoylamino)phenyl]azepane-1-carboxamide
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N-(4-bromophenyl)azocane-1-carboxamide
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N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide
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N-[4-(ethylaminomethyl)phenyl]piperidine-1-carboxamide
CID 106911585
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide
CID 79155365
N-[4-[(2-prop-2-enylsulfanylacetyl)amino]phenyl]azepane-1-carboxamide
CID 51100780
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide
CID 79152025
4-(pyrrolidine-1-carbonylamino)benzoic acid
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N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide (CID 110178664) is N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide is CC(=O)CC(=O)Nc1ccc(NC(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide?
The InChIKey is YOSVCLVSJZXVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12(20)11-15(21)17-13-5-7-14(8-6-13)18-16(22)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide?
N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 110178664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).