(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

C16H18ClFN2O2 — CID 94207901

IUPAC(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H18ClFN2O2/c17-13-6-5-12(8-14(13)18)19-15(21)11-2-1-7-20(9-11)16(22)10-3-4-10/h5-6,8,10-11H,1-4,7,9H2,(H,19,21)/t11-/m1/s1
InChIKeyWISQRGIFTGAMCC-LLVKDONJSA-N
MW324.78 g/mol
LogP3.07
Rot. Bonds3

About (3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (PubChem CID 94207901) has the molecular formula C16H18ClFN2O2 and a molecular weight of 324.78 g/mol. Its IUPAC name is (3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
PubChem CID94207901
Molecular FormulaC16H18ClFN2O2
Molecular Weight324.78 g/mol
Exact Mass324.10
IUPAC Name(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H18ClFN2O2/c17-13-6-5-12(8-14(13)18)19-15(21)11-2-1-7-20(9-11)16(22)10-3-4-10/h5-6,8,10-11H,1-4,7,9H2,(H,19,21)/t11-/m1/s1
InChIKeyWISQRGIFTGAMCC-LLVKDONJSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-methylpiperidine-1,3-dicarboxamide
CID 166027295
(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-ethylpiperidine-1,3-dicarboxamide;nickel
CID 153400238
ethyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate;nickel
CID 153400255
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 124888658
(3S)-N-(4-chloro-3-fluorophenyl)-1-[4-[2-(diaminomethylideneamino)ethyl]piperazine-1-carbonyl]piperidine-3-carboxamide
CID 172908702
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94197165
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
4-amino-N-(4-chloro-3-fluorophenyl)cyclohexane-1-carboxamide
CID 54928815

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (CID 94207901) is (3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of (3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The InChIKey is WISQRGIFTGAMCC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClFN2O2/c17-13-6-5-12(8-14(13)18)19-15(21)11-2-1-7-20(9-11)16(22)10-3-4-10/h5-6,8,10-11H,1-4,7,9H2,(H,19,21)/t11-/m1/s1.
What are the key properties of (3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide has a molecular weight of 324.78 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 94207901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).