[1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone

C23H26ClN3O3 — CID 133273395

IUPAC[1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)cc1
InChIInChI=1S/C23H26ClN3O3/c1-16-2-4-17(5-3-16)21(28)18-6-8-26(9-7-18)22-20(24)14-19(15-25-22)23(29)27-10-12-30-13-11-27/h2-5,14-15,18H,6-13H2,1H3
InChIKeyISIVAZAEQQUHJU-UHFFFAOYSA-N
MW427.93 g/mol
LogP3.62
Rot. Bonds4

About [1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone

[1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 133273395) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is [1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID133273395
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name[1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)cc1
InChIInChI=1S/C23H26ClN3O3/c1-16-2-4-17(5-3-16)21(28)18-6-8-26(9-7-18)22-20(24)14-19(15-25-22)23(29)27-10-12-30-13-11-27/h2-5,14-15,18H,6-13H2,1H3
InChIKeyISIVAZAEQQUHJU-UHFFFAOYSA-N
XLogP3.62
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

[5-chloro-6-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133300707
1-[4-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 133285323
[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133345932
[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133464886
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
[5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133381373
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
[6-(5-bromo-1,3-dihydroisoindol-2-yl)-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133471711
[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133406453
4-[3-chloro-5-(cyclopropanecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 68913848
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2766908

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone (CID 133273395) is [1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)cc1.
What is the InChIKey of [1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is ISIVAZAEQQUHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-16-2-4-17(5-3-16)21(28)18-6-8-26(9-7-18)22-20(24)14-19(15-25-22)23(29)27-10-12-30-13-11-27/h2-5,14-15,18H,6-13H2,1H3.
What are the key properties of [1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone?
[1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 427.93 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 133273395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).