[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid

C12H16N4O3 — CID 69360370

IUPAC[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
SMILESNC(=O)c1ccc(N2CCC(NC(=O)O)CC2)nc1
InChIInChI=1S/C12H16N4O3/c13-11(17)8-1-2-10(14-7-8)16-5-3-9(4-6-16)15-12(18)19/h1-2,7,9,15H,3-6H2,(H2,13,17)(H,18,19)
InChIKeyQFMWBXPDQJRBPB-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.42
Rot. Bonds3

About [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid

[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid (PubChem CID 69360370) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
PubChem CID69360370
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
SMILESNC(=O)c1ccc(N2CCC(NC(=O)O)CC2)nc1
InChIInChI=1S/C12H16N4O3/c13-11(17)8-1-2-10(14-7-8)16-5-3-9(4-6-16)15-12(18)19/h1-2,7,9,15H,3-6H2,(H2,13,17)(H,18,19)
InChIKeyQFMWBXPDQJRBPB-UHFFFAOYSA-N
XLogP0.42
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
CID 166186710
[1-(4-carbamoyl-6-chloro-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 87504353
N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464283
6-(3-aminoazetidin-1-yl)pyridine-3-carboxamide
CID 65250216
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 176985331
6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 131423946
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 112627849

Frequently Asked Questions

What is the IUPAC name of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid (CID 69360370) is [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid is NC(=O)c1ccc(N2CCC(NC(=O)O)CC2)nc1.
What is the InChIKey of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
The InChIKey is QFMWBXPDQJRBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-11(17)8-1-2-10(14-7-8)16-5-3-9(4-6-16)15-12(18)19/h1-2,7,9,15H,3-6H2,(H2,13,17)(H,18,19).
What are the key properties of [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid has a molecular weight of 264.28 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 69360370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).