(1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone

C30H38N4O3 — CID 162736326

IUPAC(1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2c(C)[nH]c3cnc(C4CCN(C(=O)C5CCN(C6CC6)CC5)CC4)cc23)cc1OC
InChIInChI=1S/C30H38N4O3/c1-19-29(22-4-7-27(36-2)28(16-22)37-3)24-17-25(31-18-26(24)32-19)20-8-14-34(15-9-20)30(35)21-10-12-33(13-11-21)23-5-6-23/h4,7,16-18,20-21,23,32H,5-6,8-15H2,1-3H3
InChIKeyUECBEWDEUPTDTN-UHFFFAOYSA-N
MW502.66 g/mol
LogP5.14
Rot. Bonds6

About (1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone

(1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone (PubChem CID 162736326) has the molecular formula C30H38N4O3 and a molecular weight of 502.66 g/mol. Its IUPAC name is (1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone
PubChem CID162736326
Molecular FormulaC30H38N4O3
Molecular Weight502.66 g/mol
Exact Mass502.29
IUPAC Name(1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2c(C)[nH]c3cnc(C4CCN(C(=O)C5CCN(C6CC6)CC5)CC4)cc23)cc1OC
InChIInChI=1S/C30H38N4O3/c1-19-29(22-4-7-27(36-2)28(16-22)37-3)24-17-25(31-18-26(24)32-19)20-8-14-34(15-9-20)30(35)21-10-12-33(13-11-21)23-5-6-23/h4,7,16-18,20-21,23,32H,5-6,8-15H2,1-3H3
InChIKeyUECBEWDEUPTDTN-UHFFFAOYSA-N
XLogP5.14
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 162736436
2-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
CID 16669834
6-(3,4-dimethoxyphenyl)-5-ethyl-3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-7H-pyrrolo[2,3-c]pyridazine
CID 154641047
ethyl 3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]pyrrolidine-1-carboxylate
CID 134230876
tert-butyl 4-[3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 66889503
(Z)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]prop-2-en-1-one
CID 167401035
[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541245
5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole
CID 134230502
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551226
6-[1-(1-cyclopropylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
CID 162735603
ethyl 4-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 40975774
[1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53030318

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone (CID 162736326) is (1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone is COc1ccc(-c2c(C)[nH]c3cnc(C4CCN(C(=O)C5CCN(C6CC6)CC5)CC4)cc23)cc1OC.
What is the InChIKey of (1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone?
The InChIKey is UECBEWDEUPTDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O3/c1-19-29(22-4-7-27(36-2)28(16-22)37-3)24-17-25(31-18-26(24)32-19)20-8-14-34(15-9-20)30(35)21-10-12-33(13-11-21)23-5-6-23/h4,7,16-18,20-21,23,32H,5-6,8-15H2,1-3H3.
What are the key properties of (1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone?
(1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone has a molecular weight of 502.66 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylpiperidin-4-yl)-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 162736326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).