(2R,4S)-piperidine-2,4-dicarboxamide

C7H13N3O2 — CID 95970376

IUPAC(2R,4S)-piperidine-2,4-dicarboxamide
SMILESNC(=O)[C@H]1CCN[C@@H](C(N)=O)C1
InChIInChI=1S/C7H13N3O2/c8-6(11)4-1-2-10-5(3-4)7(9)12/h4-5,10H,1-3H2,(H2,8,11)(H2,9,12)/t4-,5+/m0/s1
InChIKeyYVALHEFNVSPYNF-CRCLSJGQSA-N
MW171.20 g/mol
LogP-1.67
Rot. Bonds2

About (2R,4S)-piperidine-2,4-dicarboxamide

(2R,4S)-piperidine-2,4-dicarboxamide (PubChem CID 95970376) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2R,4S)-piperidine-2,4-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-piperidine-2,4-dicarboxamide
PubChem CID95970376
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(2R,4S)-piperidine-2,4-dicarboxamide
SMILESNC(=O)[C@H]1CCN[C@@H](C(N)=O)C1
InChIInChI=1S/C7H13N3O2/c8-6(11)4-1-2-10-5(3-4)7(9)12/h4-5,10H,1-3H2,(H2,8,11)(H2,9,12)/t4-,5+/m0/s1
InChIKeyYVALHEFNVSPYNF-CRCLSJGQSA-N
XLogP-1.67
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamoylpiperidine-4-carboxylic acid;hydrochloride
CID 71756318
4-(aminomethyl)piperidine-2-carboxamide
CID 19078890
(2R,4S)-4-tert-butylpiperidine-2-carboxamide
CID 178190291
(2S)-5-cyclopropylazepane-2-carboxamide
CID 163441383
[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid
CID 14850749
pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458
(2S)-4-phenylpiperidine-2-carboxamide
CID 129163808
piperidine-4-carboxamide;trihydrochloride
CID 141114926
(2S,4R)-4-hexylpiperidine-2-carboxamide
CID 142863438
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
chloromethane;(2R)-pyrrolidine-2-carboxamide
CID 143336240
(2S,4R)-azetidine-2,4-dicarboxamide
CID 14654422

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-piperidine-2,4-dicarboxamide?
The IUPAC name of (2R,4S)-piperidine-2,4-dicarboxamide (CID 95970376) is (2R,4S)-piperidine-2,4-dicarboxamide.
What is the SMILES notation for (2R,4S)-piperidine-2,4-dicarboxamide?
The canonical SMILES for (2R,4S)-piperidine-2,4-dicarboxamide is NC(=O)[C@H]1CCN[C@@H](C(N)=O)C1.
What is the InChIKey of (2R,4S)-piperidine-2,4-dicarboxamide?
The InChIKey is YVALHEFNVSPYNF-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-6(11)4-1-2-10-5(3-4)7(9)12/h4-5,10H,1-3H2,(H2,8,11)(H2,9,12)/t4-,5+/m0/s1.
What are the key properties of (2R,4S)-piperidine-2,4-dicarboxamide?
(2R,4S)-piperidine-2,4-dicarboxamide has a molecular weight of 171.20 g/mol, XLogP of -1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-piperidine-2,4-dicarboxamide is sourced from PubChem (CID 95970376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).