[1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C27H31FN2O5 — CID 46678422

IUPAC[1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)C3CCCN(C(=O)c4ccc(F)cc4)C3)CC2)c(OC)c1
InChIInChI=1S/C27H31FN2O5/c1-33-22-15-23(34-2)25(24(16-22)35-3)18-10-13-29(14-11-18)27(32)20-5-4-12-30(17-20)26(31)19-6-8-21(28)9-7-19/h6-10,15-16,20H,4-5,11-14,17H2,1-3H3
InChIKeyHIWXKYXXMBREOO-UHFFFAOYSA-N
MW482.55 g/mol
LogP4.02
Rot. Bonds6

About [1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46678422) has the molecular formula C27H31FN2O5 and a molecular weight of 482.55 g/mol. Its IUPAC name is [1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID46678422
Molecular FormulaC27H31FN2O5
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name[1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)C3CCCN(C(=O)c4ccc(F)cc4)C3)CC2)c(OC)c1
InChIInChI=1S/C27H31FN2O5/c1-33-22-15-23(34-2)25(24(16-22)35-3)18-10-13-29(14-11-18)27(32)20-5-4-12-30(17-20)26(31)19-6-8-21(28)9-7-19/h6-10,15-16,20H,4-5,11-14,17H2,1-3H3
InChIKeyHIWXKYXXMBREOO-UHFFFAOYSA-N
XLogP4.02
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 51934504
[1-(furan-2-carbonyl)piperidin-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281116
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
[1-(thiophene-2-carbonyl)piperidin-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281068
(2-methoxyphenyl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 33264904
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
(2-sulfanylidene-1H-pyridin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 43046682
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(2-chlorocyclohexen-1-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71899480

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46678422) is [1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COc1cc(OC)c(C2=CCN(C(=O)C3CCCN(C(=O)c4ccc(F)cc4)C3)CC2)c(OC)c1.
What is the InChIKey of [1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is HIWXKYXXMBREOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O5/c1-33-22-15-23(34-2)25(24(16-22)35-3)18-10-13-29(14-11-18)27(32)20-5-4-12-30(17-20)26(31)19-6-8-21(28)9-7-19/h6-10,15-16,20H,4-5,11-14,17H2,1-3H3.
What are the key properties of [1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 482.55 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 46678422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).