(3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide

C18H25FN4O2 — CID 95286790

IUPAC(3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2N2CCCCC2)C1
InChIInChI=1S/C18H25FN4O2/c19-14-6-7-16(22-8-2-1-3-9-22)15(11-14)21-17(24)13-5-4-10-23(12-13)18(20)25/h6-7,11,13H,1-5,8-10,12H2,(H2,20,25)(H,21,24)/t13-/m1/s1
InChIKeyABBNCSMESYFADY-CYBMUJFWSA-N
MW348.42 g/mol
LogP2.55
Rot. Bonds3

About (3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide

(3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 95286790) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is (3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide
PubChem CID95286790
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name(3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2N2CCCCC2)C1
InChIInChI=1S/C18H25FN4O2/c19-14-6-7-16(22-8-2-1-3-9-22)15(11-14)21-17(24)13-5-4-10-23(12-13)18(20)25/h6-7,11,13H,1-5,8-10,12H2,(H2,20,25)(H,21,24)/t13-/m1/s1
InChIKeyABBNCSMESYFADY-CYBMUJFWSA-N
XLogP2.55
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 113092391
N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide
CID 113092620
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-(2,5-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224260
N-(5-fluoro-2-morpholin-4-ylphenyl)oxane-4-carboxamide
CID 113092739
(3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide
CID 9085378
N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569045
3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171793
(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
CID 97116009
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526678
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24535038

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide (CID 95286790) is (3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2N2CCCCC2)C1.
What is the InChIKey of (3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is ABBNCSMESYFADY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25FN4O2/c19-14-6-7-16(22-8-2-1-3-9-22)15(11-14)21-17(24)13-5-4-10-23(12-13)18(20)25/h6-7,11,13H,1-5,8-10,12H2,(H2,20,25)(H,21,24)/t13-/m1/s1.
What are the key properties of (3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide?
(3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95286790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).