propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate

C23H27N3O3 — CID 133468602

IUPACpropan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate
SMILESCOc1ccc2[nH]cc(C3CCN(c4ncccc4C(=O)OC(C)C)CC3)c2c1
InChIInChI=1S/C23H27N3O3/c1-15(2)29-23(27)18-5-4-10-24-22(18)26-11-8-16(9-12-26)20-14-25-21-7-6-17(28-3)13-19(20)21/h4-7,10,13-16,25H,8-9,11-12H2,1-3H3
InChIKeyMQBJBFNFLJOERO-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.52
Rot. Bonds5

About propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate

propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 133468602) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate
PubChem CID133468602
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Namepropan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate
SMILESCOc1ccc2[nH]cc(C3CCN(c4ncccc4C(=O)OC(C)C)CC3)c2c1
InChIInChI=1S/C23H27N3O3/c1-15(2)29-23(27)18-5-4-10-24-22(18)26-11-8-16(9-12-26)20-14-25-21-7-6-17(28-3)13-19(20)21/h4-7,10,13-16,25H,8-9,11-12H2,1-3H3
InChIKeyMQBJBFNFLJOERO-UHFFFAOYSA-N
XLogP4.52
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 133471654
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate
CID 86837322
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 155948642
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 126769292
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole
CID 133298637
propan-2-yl 2-[4-[[4-[(4-methoxyphenyl)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 159232746

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate (CID 133468602) is propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate is COc1ccc2[nH]cc(C3CCN(c4ncccc4C(=O)OC(C)C)CC3)c2c1.
What is the InChIKey of propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is MQBJBFNFLJOERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)29-23(27)18-5-4-10-24-22(18)26-11-8-16(9-12-26)20-14-25-21-7-6-17(28-3)13-19(20)21/h4-7,10,13-16,25H,8-9,11-12H2,1-3H3.
What are the key properties of propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate?
propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 133468602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).