propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate

C31H43N3O5 — CID 134340981

IUPACpropan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate
SMILESCOc1cc(-c2cc3cc(C(=O)OC(C)C)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC
InChIInChI=1S/C31H43N3O5/c1-19(2)39-31(35)26-17-25-14-23(22-15-27(36-7)30(38-9)28(16-22)37-8)18-34(25)29(20(26)3)21(4)33-12-10-24(11-13-33)32(5)6/h14-19,21,24H,10-13H2,1-9H3
InChIKeyNXQADPJWODZRPB-UHFFFAOYSA-N
MW537.70 g/mol
LogP5.59
Rot. Bonds9

About propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate

propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate (PubChem CID 134340981) has the molecular formula C31H43N3O5 and a molecular weight of 537.70 g/mol. Its IUPAC name is propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate
PubChem CID134340981
Molecular FormulaC31H43N3O5
Molecular Weight537.70 g/mol
Exact Mass537.32
IUPAC Namepropan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate
SMILESCOc1cc(-c2cc3cc(C(=O)OC(C)C)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC
InChIInChI=1S/C31H43N3O5/c1-19(2)39-31(35)26-17-25-14-23(22-15-27(36-7)30(38-9)28(16-22)37-8)18-34(25)29(20(26)3)21(4)33-12-10-24(11-13-33)32(5)6/h14-19,21,24H,10-13H2,1-9H3
InChIKeyNXQADPJWODZRPB-UHFFFAOYSA-N
XLogP5.59
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate
CID 138733629
CID 157059531
CID 157059531
propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate
CID 134340523
5-(1-methoxyethyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylic acid
CID 134340998
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide
CID 134340689
propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate
CID 139312187
propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
CID 134340953
propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 138733766
propan-2-yl 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
CID 139312147
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide
CID 134340773
1-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 4309568
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide
CID 139311433

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate?
The IUPAC name of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate (CID 134340981) is propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate is COc1cc(-c2cc3cc(C(=O)OC(C)C)c(C)c(C(C)N4CCC(N(C)C)CC4)n3c2)cc(OC)c1OC.
What is the InChIKey of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate?
The InChIKey is NXQADPJWODZRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O5/c1-19(2)39-31(35)26-17-25-14-23(22-15-27(36-7)30(38-9)28(16-22)37-8)18-34(25)29(20(26)3)21(4)33-12-10-24(11-13-33)32(5)6/h14-19,21,24H,10-13H2,1-9H3.
What are the key properties of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate?
propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate has a molecular weight of 537.70 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate is sourced from PubChem (CID 134340981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).