(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide

C14H17ClFN3O2 — CID 97116009

IUPAC(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)NCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H17ClFN3O2/c15-12-6-11(16)4-3-9(12)7-18-13(20)10-2-1-5-19(8-10)14(17)21/h3-4,6,10H,1-2,5,7-8H2,(H2,17,21)(H,18,20)/t10-/m1/s1
InChIKeyYUBYAZCXZBLLNO-SNVBAGLBSA-N
MW313.76 g/mol
LogP1.89
Rot. Bonds3

About (3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide

(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 97116009) has the molecular formula C14H17ClFN3O2 and a molecular weight of 313.76 g/mol. Its IUPAC name is (3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID97116009
Molecular FormulaC14H17ClFN3O2
Molecular Weight313.76 g/mol
Exact Mass313.10
IUPAC Name(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)NCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H17ClFN3O2/c15-12-6-11(16)4-3-9(12)7-18-13(20)10-2-1-5-19(8-10)14(17)21/h3-4,6,10H,1-2,5,7-8H2,(H2,17,21)(H,18,20)/t10-/m1/s1
InChIKeyYUBYAZCXZBLLNO-SNVBAGLBSA-N
XLogP1.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72887342
3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 70731830
cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide
CID 133268532
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916869
N-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
(3R)-3-N-[2-(2,3-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95156511
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
(3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082374
N-[(2,4-dichlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967139
(3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 95286790
3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
CID 70769016

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide (CID 97116009) is (3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@@H](C(=O)NCc2ccc(F)cc2Cl)C1.
What is the InChIKey of (3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is YUBYAZCXZBLLNO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClFN3O2/c15-12-6-11(16)4-3-9(12)7-18-13(20)10-2-1-5-19(8-10)14(17)21/h3-4,6,10H,1-2,5,7-8H2,(H2,17,21)(H,18,20)/t10-/m1/s1.
What are the key properties of (3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 313.76 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 97116009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).