1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide

C15H17N3O2 — CID 43228110

IUPAC1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(C(=O)CN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C15H17N3O2/c16-9-11-1-3-12(4-2-11)14(19)10-18-7-5-13(6-8-18)15(17)20/h1-4,13H,5-8,10H2,(H2,17,20)
InChIKeySCCHJHPOASJYGA-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.94
Rot. Bonds4

About 1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 43228110) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID43228110
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(C(=O)CN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C15H17N3O2/c16-9-11-1-3-12(4-2-11)14(19)10-18-7-5-13(6-8-18)15(17)20/h1-4,13H,5-8,10H2,(H2,17,20)
InChIKeySCCHJHPOASJYGA-UHFFFAOYSA-N
XLogP0.94
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-hydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43228109
4-[2-[4-(cyclopropylmethyl)piperazin-1-yl]acetyl]benzonitrile
CID 61445688
4-[2-(4-methylazepan-1-yl)acetyl]benzonitrile
CID 63622996
4-[2-[4-(2-methylpropyl)piperidin-1-yl]acetyl]benzonitrile
CID 59000971
4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile
CID 62025688
1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 82104485
4-[2-(1,4-oxazepan-4-yl)acetyl]benzonitrile
CID 62973437
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile
CID 107228070
4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83095631
1-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 82261221

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide (CID 43228110) is 1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide is N#Cc1ccc(C(=O)CN2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is SCCHJHPOASJYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-9-11-1-3-12(4-2-11)14(19)10-18-7-5-13(6-8-18)15(17)20/h1-4,13H,5-8,10H2,(H2,17,20).
What are the key properties of 1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43228110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).