(3R)-piperidin-1-ium-3-carboxamide

C6H13N2O+ — CID 6951336

IUPAC(3R)-piperidin-1-ium-3-carboxamide
SMILESNC(=O)[C@@H]1CCC[NH2+]C1
InChIInChI=1S/C6H12N2O/c7-6(9)5-2-1-3-8-4-5/h5,8H,1-4H2,(H2,7,9)/p+1/t5-/m1/s1
InChIKeyBVOCPVIXARZNQN-RXMQYKEDSA-O
MW129.18 g/mol
LogP-1.55
Rot. Bonds1

About (3R)-piperidin-1-ium-3-carboxamide

(3R)-piperidin-1-ium-3-carboxamide (PubChem CID 6951336) has the molecular formula C6H13N2O+ and a molecular weight of 129.18 g/mol. Its IUPAC name is (3R)-piperidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name(3R)-piperidin-1-ium-3-carboxamide
PubChem CID6951336
Molecular FormulaC6H13N2O+
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3R)-piperidin-1-ium-3-carboxamide
SMILESNC(=O)[C@@H]1CCC[NH2+]C1
InChIInChI=1S/C6H12N2O/c7-6(9)5-2-1-3-8-4-5/h5,8H,1-4H2,(H2,7,9)/p+1/t5-/m1/s1
InChIKeyBVOCPVIXARZNQN-RXMQYKEDSA-O
XLogP-1.55
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-Piperidinecarboxamide
CID 3772
3-Piperidinecarboxamide
CID 92980
1-(Cyanomethyl)piperidine-3-carboxamide
CID 4128901
N,N-Diethylpiperidine-3-carboxamide
CID 18793
3-Methylpiperidin-2-one
CID 107169
2-(Piperidin-4-yl)acetamide
CID 22064934
5-Methylpiperidin-2-one
CID 10877083
(Piperidin-3-yl)(pyrrolidin-1-yl)methanone
CID 2794682
(R)-piperidine-3-carboxamide
CID 854158
Ketone, piperidino 3-piperidyl
CID 218422
2-(Piperidin-3-yl)acetamide
CID 18946130
2-Oxopiperidine-3-carboxamide
CID 3686578

Frequently Asked Questions

What is the IUPAC name of (3R)-piperidin-1-ium-3-carboxamide?
The IUPAC name of (3R)-piperidin-1-ium-3-carboxamide (CID 6951336) is (3R)-piperidin-1-ium-3-carboxamide.
What is the SMILES notation for (3R)-piperidin-1-ium-3-carboxamide?
The canonical SMILES for (3R)-piperidin-1-ium-3-carboxamide is NC(=O)[C@@H]1CCC[NH2+]C1.
What is the InChIKey of (3R)-piperidin-1-ium-3-carboxamide?
The InChIKey is BVOCPVIXARZNQN-RXMQYKEDSA-O. The full InChI is InChI=1S/C6H12N2O/c7-6(9)5-2-1-3-8-4-5/h5,8H,1-4H2,(H2,7,9)/p+1/t5-/m1/s1.
What are the key properties of (3R)-piperidin-1-ium-3-carboxamide?
(3R)-piperidin-1-ium-3-carboxamide has a molecular weight of 129.18 g/mol, XLogP of -1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-piperidin-1-ium-3-carboxamide is sourced from PubChem (CID 6951336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).