[1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea

C11H14ClFN4O — CID 146145536

IUPAC[1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(c2c(F)cncc2Cl)CC1
InChIInChI=1S/C11H14ClFN4O/c12-8-5-15-6-9(13)10(8)17-3-1-7(2-4-17)16-11(14)18/h5-7H,1-4H2,(H3,14,16,18)
InChIKeyBVEPEXMVOVJWQP-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.51
Rot. Bonds2

About [1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea

[1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea (PubChem CID 146145536) has the molecular formula C11H14ClFN4O and a molecular weight of 272.71 g/mol. Its IUPAC name is [1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea
PubChem CID146145536
Molecular FormulaC11H14ClFN4O
Molecular Weight272.71 g/mol
Exact Mass272.08
IUPAC Name[1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(c2c(F)cncc2Cl)CC1
InChIInChI=1S/C11H14ClFN4O/c12-8-5-15-6-9(13)10(8)17-3-1-7(2-4-17)16-11(14)18/h5-7H,1-4H2,(H3,14,16,18)
InChIKeyBVEPEXMVOVJWQP-UHFFFAOYSA-N
XLogP1.51
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidin-4-amine
CID 121224439
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 45275571
N-(2-aminoethyl)-1-(3-chloro-5-iodo-4-pyridinyl)piperidine-4-carboxamide
CID 70900591
3,5-dichloro-4-(4-methoxypiperidin-1-yl)pyridine
CID 174621595
1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 45274288
3-[4-(3-chloro-5-fluoro-4-pyridinyl)piperazin-1-yl]phenol
CID 136575332
tert-butyl N-[1-(3-bromo-5-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 139392588
N-(3-chloro-4-fluorophenyl)-4-(3,5-dichloro-4-pyridinyl)-7-methyl-1,4-diazepane-1-carboxamide
CID 118068249
1-(3-chloro-4-fluorophenyl)-3-[(3S)-1-(3,5-dichloro-4-pyridinyl)piperidin-3-yl]urea
CID 134359756
[1-(3-amino-5-chloro-4-pyridinyl)piperidin-4-yl]-(1,3-diazabicyclo[2.2.2]octan-3-yl)methanone
CID 134339970
(3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 45275778

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea?
The IUPAC name of [1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea (CID 146145536) is [1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea.
What is the SMILES notation for [1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea?
The canonical SMILES for [1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea is NC(=O)NC1CCN(c2c(F)cncc2Cl)CC1.
What is the InChIKey of [1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea?
The InChIKey is BVEPEXMVOVJWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN4O/c12-8-5-15-6-9(13)10(8)17-3-1-7(2-4-17)16-11(14)18/h5-7H,1-4H2,(H3,14,16,18).
What are the key properties of [1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea?
[1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea has a molecular weight of 272.71 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea is sourced from PubChem (CID 146145536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).