propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate

C22H33N3O2 — CID 174957648

IUPACpropan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate
SMILESCc1cn2cc(C(C)N3CCC(N(C)C)CC3)cc2cc1C(=O)OC(C)C
InChIInChI=1S/C22H33N3O2/c1-15(2)27-22(26)21-12-20-11-18(14-25(20)13-16(21)3)17(4)24-9-7-19(8-10-24)23(5)6/h11-15,17,19H,7-10H2,1-6H3
InChIKeyRXYWNKQZJFMARI-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.90
Rot. Bonds5

About propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate

propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate (PubChem CID 174957648) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate
PubChem CID174957648
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Namepropan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate
SMILESCc1cn2cc(C(C)N3CCC(N(C)C)CC3)cc2cc1C(=O)OC(C)C
InChIInChI=1S/C22H33N3O2/c1-15(2)27-22(26)21-12-20-11-18(14-25(20)13-16(21)3)17(4)24-9-7-19(8-10-24)23(5)6/h11-15,17,19H,7-10H2,1-6H3
InChIKeyRXYWNKQZJFMARI-UHFFFAOYSA-N
XLogP3.90
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate
CID 134340981
propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate
CID 138733629
propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate
CID 134340523
propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate
CID 139312187
propan-2-yl 5-[1-[4-[[5-[5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-7-propan-2-yloxycarbonylindolizin-2-yl]-3-pyridinyl]methyl-methylamino]piperidin-1-yl]ethyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxylate
CID 139311085
CID 157059531
CID 157059531
2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-methylphenol
CID 82977653
propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate
CID 142300730
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 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate
CID 20754611
propan-2-yl 5-hydroxy-2-methylbenzoate
CID 126975717
propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate
CID 138733367

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate?
The IUPAC name of propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate (CID 174957648) is propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate is Cc1cn2cc(C(C)N3CCC(N(C)C)CC3)cc2cc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate?
The InChIKey is RXYWNKQZJFMARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-15(2)27-22(26)21-12-20-11-18(14-25(20)13-16(21)3)17(4)24-9-7-19(8-10-24)23(5)6/h11-15,17,19H,7-10H2,1-6H3.
What are the key properties of propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate?
propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate has a molecular weight of 371.53 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate is sourced from PubChem (CID 174957648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).