3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one

C29H36N2O5 — CID 46411075

IUPAC3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCOc1cc(OC)c(C2=CCN(C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)CC2)c(OC)c1
InChIInChI=1S/C29H36N2O5/c1-34-24-19-25(35-2)28(26(20-24)36-3)22-11-17-31(18-12-22)29(33)23-13-15-30(16-14-23)27(32)10-9-21-7-5-4-6-8-21/h4-8,11,19-20,23H,9-10,12-18H2,1-3H3
InChIKeyCHRVIRGBNRFFLJ-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.20
Rot. Bonds8

About 3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one

3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 46411075) has the molecular formula C29H36N2O5 and a molecular weight of 492.62 g/mol. Its IUPAC name is 3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID46411075
Molecular FormulaC29H36N2O5
Molecular Weight492.62 g/mol
Exact Mass492.26
IUPAC Name3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCOc1cc(OC)c(C2=CCN(C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)CC2)c(OC)c1
InChIInChI=1S/C29H36N2O5/c1-34-24-19-25(35-2)28(26(20-24)36-3)22-11-17-31(18-12-22)29(33)23-13-15-30(16-14-23)27(32)10-9-21-7-5-4-6-8-21/h4-8,11,19-20,23H,9-10,12-18H2,1-3H3
InChIKeyCHRVIRGBNRFFLJ-UHFFFAOYSA-N
XLogP4.20
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(furan-2-carbonyl)piperidin-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281116
cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 17454082
[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-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 46678422
1-pyrrolidin-1-yl-2-[2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]sulfanylethanone
CID 33265215
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone
CID 56813543
2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 17451041
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 51934504
(3-hydroxynaphthalen-2-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42280880
N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119420626

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 46411075) is 3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one is COc1cc(OC)c(C2=CCN(C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)CC2)c(OC)c1.
What is the InChIKey of 3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is CHRVIRGBNRFFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O5/c1-34-24-19-25(35-2)28(26(20-24)36-3)22-11-17-31(18-12-22)29(33)23-13-15-30(16-14-23)27(32)10-9-21-7-5-4-6-8-21/h4-8,11,19-20,23H,9-10,12-18H2,1-3H3.
What are the key properties of 3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one?
3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 492.62 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 46411075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).