[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C23H28ClN3O3 — CID 133464886

IUPAC[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1cccc(CC2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)c1
InChIInChI=1S/C23H28ClN3O3/c1-29-20-4-2-3-18(14-20)13-17-5-7-26(8-6-17)22-21(24)15-19(16-25-22)23(28)27-9-11-30-12-10-27/h2-4,14-17H,5-13H2,1H3
InChIKeyKNHFLCLERIFIIO-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.68
Rot. Bonds5

About [5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133464886) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is [5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133464886
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1cccc(CC2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)c1
InChIInChI=1S/C23H28ClN3O3/c1-29-20-4-2-3-18(14-20)13-17-5-7-26(8-6-17)22-21(24)15-19(16-25-22)23(28)27-9-11-30-12-10-27/h2-4,14-17H,5-13H2,1H3
InChIKeyKNHFLCLERIFIIO-UHFFFAOYSA-N
XLogP3.68
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133464880
[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133406453
[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133345932
[1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 133273395
3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide
CID 136530088
1-[4-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 133285323
[5-chloro-6-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133300707
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133464882
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228617
6-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 138688442
2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899893
5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 162444949

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133464886) is [5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone is COc1cccc(CC2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)c1.
What is the InChIKey of [5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is KNHFLCLERIFIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-29-20-4-2-3-18(14-20)13-17-5-7-26(8-6-17)22-21(24)15-19(16-25-22)23(28)27-9-11-30-12-10-27/h2-4,14-17H,5-13H2,1H3.
What are the key properties of [5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 429.95 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133464886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).