[1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone

C24H35N3O5 — CID 42693463

IUPAC[1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)c1
InChIInChI=1S/C24H35N3O5/c1-30-21-15-19(16-22(17-21)31-2)24(29)26-9-5-20(6-10-26)25-7-3-18(4-8-25)23(28)27-11-13-32-14-12-27/h15-18,20H,3-14H2,1-2H3
InChIKeyRIXNGKRFVOWVLR-UHFFFAOYSA-N
MW445.56 g/mol
LogP1.88
Rot. Bonds5

About [1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 42693463) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is [1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID42693463
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC Name[1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)c1
InChIInChI=1S/C24H35N3O5/c1-30-21-15-19(16-22(17-21)31-2)24(29)26-9-5-20(6-10-26)25-7-3-18(4-8-25)23(28)27-11-13-32-14-12-27/h15-18,20H,3-14H2,1-2H3
InChIKeyRIXNGKRFVOWVLR-UHFFFAOYSA-N
XLogP1.88
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxyphenyl)-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2913713
morpholin-4-yl-[1-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 25368630
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 52612498
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
[1-[1-(2-chloro-4-nitrobenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 42881304
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55719269
1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693440
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 11573068
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 138387047
morpholin-4-yl-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methanone
CID 38491442
[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 42693463) is [1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone is COc1cc(OC)cc(C(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)c1.
What is the InChIKey of [1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is RIXNGKRFVOWVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-30-21-15-19(16-22(17-21)31-2)24(29)26-9-5-20(6-10-26)25-7-3-18(4-8-25)23(28)27-11-13-32-14-12-27/h15-18,20H,3-14H2,1-2H3.
What are the key properties of [1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 445.56 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42693463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).