(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide

C18H25ClFN3O2 — CID 95715007

IUPAC(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCCC[C@@H]1CCN1CCOCC1
InChIInChI=1S/C18H25ClFN3O2/c19-16-13-14(4-5-17(16)20)21-18(24)23-7-2-1-3-15(23)6-8-22-9-11-25-12-10-22/h4-5,13,15H,1-3,6-12H2,(H,21,24)/t15-/m1/s1
InChIKeySNUQWTUJZYOCPL-OAHLLOKOSA-N
MW369.87 g/mol
LogP3.59
Rot. Bonds4

About (2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide

(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (PubChem CID 95715007) has the molecular formula C18H25ClFN3O2 and a molecular weight of 369.87 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
PubChem CID95715007
Molecular FormulaC18H25ClFN3O2
Molecular Weight369.87 g/mol
Exact Mass369.16
IUPAC Name(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCCC[C@@H]1CCN1CCOCC1
InChIInChI=1S/C18H25ClFN3O2/c19-16-13-14(4-5-17(16)20)21-18(24)23-7-2-1-3-15(23)6-8-22-9-11-25-12-10-22/h4-5,13,15H,1-3,6-12H2,(H,21,24)/t15-/m1/s1
InChIKeySNUQWTUJZYOCPL-OAHLLOKOSA-N
XLogP3.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 97273868
2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61194799
2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134086224
N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide
CID 134113677
N-(5-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 56894380
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
2-(2-morpholin-4-ylethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 72897752
(2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 97010864
(2R)-N-(3-chloro-5-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 97057326
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250141
2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 97145614

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (CID 95715007) is (2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCCC[C@@H]1CCN1CCOCC1.
What is the InChIKey of (2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The InChIKey is SNUQWTUJZYOCPL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25ClFN3O2/c19-16-13-14(4-5-17(16)20)21-18(24)23-7-2-1-3-15(23)6-8-22-9-11-25-12-10-22/h4-5,13,15H,1-3,6-12H2,(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide has a molecular weight of 369.87 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95715007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).