N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide

C12H21N3O2 — CID 81486889

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCC(CN)(NC(=O)C1CCC(=O)NC1)C1CC1
InChIInChI=1S/C12H21N3O2/c1-12(7-13,9-3-4-9)15-11(17)8-2-5-10(16)14-6-8/h8-9H,2-7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyMEKYMUUMLXDONA-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.24
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 81486889) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID81486889
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCC(CN)(NC(=O)C1CCC(=O)NC1)C1CC1
InChIInChI=1S/C12H21N3O2/c1-12(7-13,9-3-4-9)15-11(17)8-2-5-10(16)14-6-8/h8-9H,2-7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyMEKYMUUMLXDONA-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide (CID 81486889) is N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide is CC(CN)(NC(=O)C1CCC(=O)NC1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is MEKYMUUMLXDONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(7-13,9-3-4-9)15-11(17)8-2-5-10(16)14-6-8/h8-9H,2-7,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 81486889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).