1-(propan-2-ylamino)piperidine-4-carboxamide

C9H19N3O — CID 91244902

IUPAC1-(propan-2-ylamino)piperidine-4-carboxamide
SMILESCC(C)NN1CCC(C(N)=O)CC1
InChIInChI=1S/C9H19N3O/c1-7(2)11-12-5-3-8(4-6-12)9(10)13/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeyPJKCZZJBVHPXFF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.10
Rot. Bonds3

About 1-(propan-2-ylamino)piperidine-4-carboxamide

1-(propan-2-ylamino)piperidine-4-carboxamide (PubChem CID 91244902) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(propan-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(propan-2-ylamino)piperidine-4-carboxamide
PubChem CID91244902
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(propan-2-ylamino)piperidine-4-carboxamide
SMILESCC(C)NN1CCC(C(N)=O)CC1
InChIInChI=1S/C9H19N3O/c1-7(2)11-12-5-3-8(4-6-12)9(10)13/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeyPJKCZZJBVHPXFF-UHFFFAOYSA-N
XLogP0.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of 1-(propan-2-ylamino)piperidine-4-carboxamide (CID 91244902) is 1-(propan-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-(propan-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-(propan-2-ylamino)piperidine-4-carboxamide is CC(C)NN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(propan-2-ylamino)piperidine-4-carboxamide?
The InChIKey is PJKCZZJBVHPXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(2)11-12-5-3-8(4-6-12)9(10)13/h7-8,11H,3-6H2,1-2H3,(H2,10,13).
What are the key properties of 1-(propan-2-ylamino)piperidine-4-carboxamide?
1-(propan-2-ylamino)piperidine-4-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 91244902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).