N-propan-2-ylpiperidin-1-ium-4-carboxamide

C9H19N2O+ — CID 7303409

IUPACN-propan-2-ylpiperidin-1-ium-4-carboxamide
SMILESCC(C)NC(=O)C1CC[NH2+]CC1
InChIInChI=1S/C9H18N2O/c1-7(2)11-9(12)8-3-5-10-6-4-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/p+1
InChIKeyGNIDIQDKQBYDMZ-UHFFFAOYSA-O
MW171.26 g/mol
LogP-0.52
Rot. Bonds2

About N-propan-2-ylpiperidin-1-ium-4-carboxamide

N-propan-2-ylpiperidin-1-ium-4-carboxamide (PubChem CID 7303409) has the molecular formula C9H19N2O+ and a molecular weight of 171.26 g/mol. Its IUPAC name is N-propan-2-ylpiperidin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-ylpiperidin-1-ium-4-carboxamide
PubChem CID7303409
Molecular FormulaC9H19N2O+
Molecular Weight171.26 g/mol
Exact Mass171.15
IUPAC NameN-propan-2-ylpiperidin-1-ium-4-carboxamide
SMILESCC(C)NC(=O)C1CC[NH2+]CC1
InChIInChI=1S/C9H18N2O/c1-7(2)11-9(12)8-3-5-10-6-4-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/p+1
InChIKeyGNIDIQDKQBYDMZ-UHFFFAOYSA-O
XLogP-0.52
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-propan-2-ylpiperidin-1-ium-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpiperidin-1-ium-4-carboxamide?
The IUPAC name of N-propan-2-ylpiperidin-1-ium-4-carboxamide (CID 7303409) is N-propan-2-ylpiperidin-1-ium-4-carboxamide.
What is the SMILES notation for N-propan-2-ylpiperidin-1-ium-4-carboxamide?
The canonical SMILES for N-propan-2-ylpiperidin-1-ium-4-carboxamide is CC(C)NC(=O)C1CC[NH2+]CC1.
What is the InChIKey of N-propan-2-ylpiperidin-1-ium-4-carboxamide?
The InChIKey is GNIDIQDKQBYDMZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N2O/c1-7(2)11-9(12)8-3-5-10-6-4-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/p+1.
What are the key properties of N-propan-2-ylpiperidin-1-ium-4-carboxamide?
N-propan-2-ylpiperidin-1-ium-4-carboxamide has a molecular weight of 171.26 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpiperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7303409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).