[6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone

C21H24ClN3O2 — CID 56868455

IUPAC[6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(N2CCOC(c3ccc(Cl)cc3)C2)nc1)N1CCCCC1
InChIInChI=1S/C21H24ClN3O2/c22-18-7-4-16(5-8-18)19-15-25(12-13-27-19)20-9-6-17(14-23-20)21(26)24-10-2-1-3-11-24/h4-9,14,19H,1-3,10-13,15H2
InChIKeyDVVCWLBZGXMUAO-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.94
Rot. Bonds3

About [6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone

[6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 56868455) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is [6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID56868455
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name[6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(N2CCOC(c3ccc(Cl)cc3)C2)nc1)N1CCCCC1
InChIInChI=1S/C21H24ClN3O2/c22-18-7-4-16(5-8-18)19-15-25(12-13-27-19)20-9-6-17(14-23-20)21(26)24-10-2-1-3-11-24/h4-9,14,19H,1-3,10-13,15H2
InChIKeyDVVCWLBZGXMUAO-UHFFFAOYSA-N
XLogP3.94
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 95561255
6-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-ethyl-N-methylpyridine-3-carboxamide
CID 95558310
piperidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]methanone
CID 70776837
5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid
CID 122057769
(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 125120657
6-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 95532245
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-propan-2-ylpyridine-4-carboxamide
CID 95435807
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 67168008
[2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55947377
6-[2-(4-chlorophenyl)morpholin-4-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide
CID 133319777

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone (CID 56868455) is [6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccc(N2CCOC(c3ccc(Cl)cc3)C2)nc1)N1CCCCC1.
What is the InChIKey of [6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is DVVCWLBZGXMUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-18-7-4-16(5-8-18)19-15-25(12-13-27-19)20-9-6-17(14-23-20)21(26)24-10-2-1-3-11-24/h4-9,14,19H,1-3,10-13,15H2.
What are the key properties of [6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
[6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 385.90 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56868455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).