[1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid

C12H15ClN4O3 — CID 87504353

IUPAC[1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid
SMILESNC(=O)c1cc(Cl)nc(N2CCC(NC(=O)O)CC2)c1
InChIInChI=1S/C12H15ClN4O3/c13-9-5-7(11(14)18)6-10(16-9)17-3-1-8(2-4-17)15-12(19)20/h5-6,8,15H,1-4H2,(H2,14,18)(H,19,20)
InChIKeyNUPVIGLMOFGXIF-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.07
Rot. Bonds3

About [1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid

[1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid (PubChem CID 87504353) has the molecular formula C12H15ClN4O3 and a molecular weight of 298.73 g/mol. Its IUPAC name is [1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid
PubChem CID87504353
Molecular FormulaC12H15ClN4O3
Molecular Weight298.73 g/mol
Exact Mass298.08
IUPAC Name[1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid
SMILESNC(=O)c1cc(Cl)nc(N2CCC(NC(=O)O)CC2)c1
InChIInChI=1S/C12H15ClN4O3/c13-9-5-7(11(14)18)6-10(16-9)17-3-1-8(2-4-17)15-12(19)20/h5-6,8,15H,1-4H2,(H2,14,18)(H,19,20)
InChIKeyNUPVIGLMOFGXIF-UHFFFAOYSA-N
XLogP1.07
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-(4-carbamoyl-6-cyano-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 68581111
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370
[1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid
CID 166708160
2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 106669843
2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(2-methoxyethoxy)pyridine-4-carboxamide
CID 11751757
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 51119765
ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
CID 15124700
2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 82691470
N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 106768259
2-[4-(1-aminoethyl)piperidin-1-yl]-6-methylpyridine-4-carboxamide
CID 114770036
methyl 2-[[2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-chloropyridine-4-carbonyl]amino]acetate
CID 87505648
[1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid
CID 68579922

Frequently Asked Questions

What is the IUPAC name of [1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid (CID 87504353) is [1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid is NC(=O)c1cc(Cl)nc(N2CCC(NC(=O)O)CC2)c1.
What is the InChIKey of [1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid?
The InChIKey is NUPVIGLMOFGXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3/c13-9-5-7(11(14)18)6-10(16-9)17-3-1-8(2-4-17)15-12(19)20/h5-6,8,15H,1-4H2,(H2,14,18)(H,19,20).
What are the key properties of [1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid?
[1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid has a molecular weight of 298.73 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 87504353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).