[1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid

C12H15FN4O3 — CID 156534176

IUPAC[1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)Nc2ncccc2F)CC1
InChIInChI=1S/C12H15FN4O3/c13-9-2-1-5-14-10(9)16-11(18)17-6-3-8(4-7-17)15-12(19)20/h1-2,5,8,15H,3-4,6-7H2,(H,19,20)(H,14,16,18)
InChIKeyARKSTHSVJWQQDC-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.48
Rot. Bonds2

About [1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid

[1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid (PubChem CID 156534176) has the molecular formula C12H15FN4O3 and a molecular weight of 282.27 g/mol. Its IUPAC name is [1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid
PubChem CID156534176
Molecular FormulaC12H15FN4O3
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name[1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)Nc2ncccc2F)CC1
InChIInChI=1S/C12H15FN4O3/c13-9-2-1-5-14-10(9)16-11(18)17-6-3-8(4-7-17)15-12(19)20/h1-2,5,8,15H,3-4,6-7H2,(H,19,20)(H,14,16,18)
InChIKeyARKSTHSVJWQQDC-UHFFFAOYSA-N
XLogP1.48
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
N-Cyclohexyl-N'-2-pyridinylurea
CID 99760
1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987
4-(2-Pyridyl)piperazine-1-carboxamide
CID 22418783
N,N'-Di-pyridin-2-yl-malonamide
CID 565132
1-(3-Fluorophenyl)-3-pyridin-2-ylurea
CID 781174
1-(4-Fluorophenyl)-3-propan-2-yl-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea
CID 44412901
1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-[5-(trifluoromethyl)pyridin-2-yl]urea
CID 118409078
N-(pyridin-2-yl)morpholine-4-carboxamide
CID 653226
N-2-pyridinyl-N'-(2,2,2-trifluoroethyl)urea
CID 934533
1-Butyl-3-pyridin-2-ylurea
CID 1886475
1-(1-Benzyl-piperidin-4-yl)-3-pyridin-2-yl-urea
CID 10852461

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid (CID 156534176) is [1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(C(=O)Nc2ncccc2F)CC1.
What is the InChIKey of [1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid?
The InChIKey is ARKSTHSVJWQQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O3/c13-9-2-1-5-14-10(9)16-11(18)17-6-3-8(4-7-17)15-12(19)20/h1-2,5,8,15H,3-4,6-7H2,(H,19,20)(H,14,16,18).
What are the key properties of [1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid?
[1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid has a molecular weight of 282.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 156534176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).