2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate

C23H33N3O4 — CID 156634225

IUPAC2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate
SMILESCC(C)Oc1cc(N2CCOCC2)c2cc(C(=O)OCCN3CCCCC3)[nH]c2c1
InChIInChI=1S/C23H33N3O4/c1-17(2)30-18-14-20-19(22(15-18)26-9-11-28-12-10-26)16-21(24-20)23(27)29-13-8-25-6-4-3-5-7-25/h14-17,24H,3-13H2,1-2H3
InChIKeyXURFZAGYWBAVPT-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.43
Rot. Bonds7

About 2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate

2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate (PubChem CID 156634225) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate
PubChem CID156634225
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate
SMILESCC(C)Oc1cc(N2CCOCC2)c2cc(C(=O)OCCN3CCCCC3)[nH]c2c1
InChIInChI=1S/C23H33N3O4/c1-17(2)30-18-14-20-19(22(15-18)26-9-11-28-12-10-26)16-21(24-20)23(27)29-13-8-25-6-4-3-5-7-25/h14-17,24H,3-13H2,1-2H3
InChIKeyXURFZAGYWBAVPT-UHFFFAOYSA-N
XLogP3.43
TPSA67.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate with MolForge

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Related Compounds

2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate
CID 156634349
2-morpholin-4-ylethyl 4-cyclohexyloxy-6-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634424
2-morpholin-4-ylethyl 6-piperidin-1-yl-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634200
2-morpholin-4-ylethyl 6-cyclohexyloxy-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634217
N-methylmethanamine;4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 175136889
2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634339
2-(dimethylamino)ethyl 4-morpholin-4-yl-6-propan-2-yloxy-1-benzofuran-2-carboxylate
CID 156634195
N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide
CID 70213565
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
2-piperidin-1-ylethyl N-(3-propan-2-yloxyphenyl)carbamate
CID 23275932
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate (CID 156634225) is 2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate is CC(C)Oc1cc(N2CCOCC2)c2cc(C(=O)OCCN3CCCCC3)[nH]c2c1.
What is the InChIKey of 2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate?
The InChIKey is XURFZAGYWBAVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-17(2)30-18-14-20-19(22(15-18)26-9-11-28-12-10-26)16-21(24-20)23(27)29-13-8-25-6-4-3-5-7-25/h14-17,24H,3-13H2,1-2H3.
What are the key properties of 2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate?
2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 4-morpholin-4-yl-6-propan-2-yloxy-1H-indole-2-carboxylate is sourced from PubChem (CID 156634225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).