5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide

C14H18N4O3 — CID 104913671

IUPAC5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC(=O)[C@H]2CCCCN2)cc(C(N)=O)c1
InChIInChI=1S/C14H18N4O3/c15-12(19)8-5-9(13(16)20)7-10(6-8)18-14(21)11-3-1-2-4-17-11/h5-7,11,17H,1-4H2,(H2,15,19)(H2,16,20)(H,18,21)/t11-/m1/s1
InChIKeyKMCSWWZXNPXSET-LLVKDONJSA-N
MW290.32 g/mol
LogP-0.04
Rot. Bonds4

About 5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide

5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide (PubChem CID 104913671) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide
PubChem CID104913671
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC(=O)[C@H]2CCCCN2)cc(C(N)=O)c1
InChIInChI=1S/C14H18N4O3/c15-12(19)8-5-9(13(16)20)7-10(6-8)18-14(21)11-3-1-2-4-17-11/h5-7,11,17H,1-4H2,(H2,15,19)(H2,16,20)(H,18,21)/t11-/m1/s1
InChIKeyKMCSWWZXNPXSET-LLVKDONJSA-N
XLogP-0.04
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-(piperidine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119263110
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
N-(5-carbamoyl-2-chlorophenyl)piperidine-2-carboxamide
CID 43701566
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
3-chloro-5-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914413
(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
CID 113266184
N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide
CID 64563989
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119707989
N-(3,4,5-trifluorophenyl)azepane-2-carboxamide
CID 64569548

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide (CID 104913671) is 5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide is NC(=O)c1cc(NC(=O)[C@H]2CCCCN2)cc(C(N)=O)c1.
What is the InChIKey of 5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide?
The InChIKey is KMCSWWZXNPXSET-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-12(19)8-5-9(13(16)20)7-10(6-8)18-14(21)11-3-1-2-4-17-11/h5-7,11,17H,1-4H2,(H2,15,19)(H2,16,20)(H,18,21)/t11-/m1/s1.
What are the key properties of 5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide?
5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide has a molecular weight of 290.32 g/mol, XLogP of -0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 104913671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).