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

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Related Compounds

molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
CID 7172187
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109144455
4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 58038974
N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide
CID 7075093
(3R)-5-(propan-2-ylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 71289873
3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 127783603
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746
N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide
CID 100609902
1-N-cyclopropyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 47177764
N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide
CID 107860157
N-(1-hydroxy-2-methylpropan-2-yl)piperidin-1-ium-4-carboxamide
CID 7172191

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).