[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C24H30N4O4 — CID 51934504

IUPAC[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)[C@@H]3CCCN(c4cnccn4)C3)CC2)c(OC)c1
InChIInChI=1S/C24H30N4O4/c1-30-19-13-20(31-2)23(21(14-19)32-3)17-6-11-27(12-7-17)24(29)18-5-4-10-28(16-18)22-15-25-8-9-26-22/h6,8-9,13-15,18H,4-5,7,10-12,16H2,1-3H3/t18-/m1/s1
InChIKeyVJBXRZYOLRZDEE-GOSISDBHSA-N
MW438.53 g/mol
LogP3.03
Rot. Bonds6

About [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 51934504) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID51934504
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)[C@@H]3CCCN(c4cnccn4)C3)CC2)c(OC)c1
InChIInChI=1S/C24H30N4O4/c1-30-19-13-20(31-2)23(21(14-19)32-3)17-6-11-27(12-7-17)24(29)18-5-4-10-28(16-18)22-15-25-8-9-26-22/h6,8-9,13-15,18H,4-5,7,10-12,16H2,1-3H3/t18-/m1/s1
InChIKeyVJBXRZYOLRZDEE-GOSISDBHSA-N
XLogP3.03
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 17454082
[1-(4-fluorobenzoyl)piperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 46678422
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 42954798
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46573508
(4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 97143492
[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 43062166
3-phenyl-1-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 46411075
[1-(thiophene-2-carbonyl)piperidin-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281068
2-methyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 17451041
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 43066238

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 51934504) is [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COc1cc(OC)c(C2=CCN(C(=O)[C@@H]3CCCN(c4cnccn4)C3)CC2)c(OC)c1.
What is the InChIKey of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is VJBXRZYOLRZDEE-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-30-19-13-20(31-2)23(21(14-19)32-3)17-6-11-27(12-7-17)24(29)18-5-4-10-28(16-18)22-15-25-8-9-26-22/h6,8-9,13-15,18H,4-5,7,10-12,16H2,1-3H3/t18-/m1/s1.
What are the key properties of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 438.53 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 51934504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).