1-(2-cyanopropanoyl)piperidine-4-carboxamide

C10H15N3O2 — CID 55207643

IUPAC1-(2-cyanopropanoyl)piperidine-4-carboxamide
SMILESCC(C#N)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H15N3O2/c1-7(6-11)10(15)13-4-2-8(3-5-13)9(12)14/h7-8H,2-5H2,1H3,(H2,12,14)
InChIKeySHZSYZRXCDDDQY-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.13
Rot. Bonds2

About 1-(2-cyanopropanoyl)piperidine-4-carboxamide

1-(2-cyanopropanoyl)piperidine-4-carboxamide (PubChem CID 55207643) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(2-cyanopropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanopropanoyl)piperidine-4-carboxamide
PubChem CID55207643
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(2-cyanopropanoyl)piperidine-4-carboxamide
SMILESCC(C#N)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H15N3O2/c1-7(6-11)10(15)13-4-2-8(3-5-13)9(12)14/h7-8H,2-5H2,1H3,(H2,12,14)
InChIKeySHZSYZRXCDDDQY-UHFFFAOYSA-N
XLogP-0.13
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-3-oxopropanenitrile
CID 55208045
1-(2-amino-3-hydroxybutanoyl)piperidine-4-carboxamide
CID 153399004
2-methyl-3-oxo-3-(4-oxopiperidin-1-yl)propanenitrile
CID 130657533
1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide
CID 129497512
1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]piperidine-4-carboxamide
CID 76926780
2-(4-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536501
1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide
CID 124733844
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-3-oxopropanenitrile
CID 78996345
1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide
CID 106592610
tert-butyl N-[1-(4-carbamoylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 24688681
1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide
CID 29439895
1-(4-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575168

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanopropanoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanopropanoyl)piperidine-4-carboxamide (CID 55207643) is 1-(2-cyanopropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanopropanoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanopropanoyl)piperidine-4-carboxamide is CC(C#N)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(2-cyanopropanoyl)piperidine-4-carboxamide?
The InChIKey is SHZSYZRXCDDDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(6-11)10(15)13-4-2-8(3-5-13)9(12)14/h7-8H,2-5H2,1H3,(H2,12,14).
What are the key properties of 1-(2-cyanopropanoyl)piperidine-4-carboxamide?
1-(2-cyanopropanoyl)piperidine-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanopropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55207643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).