[(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid

C26H29N5O4 — CID 122703113

IUPAC[(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
SMILESCCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](NC(=O)O)C4)ccc3n2C)cc2ccc(OC)cc21
InChIInChI=1S/C26H29N5O4/c1-4-31-22-14-19(35-3)9-7-16(22)13-23(31)24-28-20-12-17(8-10-21(20)29(24)2)25(32)30-11-5-6-18(15-30)27-26(33)34/h7-10,12-14,18,27H,4-6,11,15H2,1-3H3,(H,33,34)/t18-/m1/s1
InChIKeyCTWQZGDCHMZOPW-GOSISDBHSA-N
MW475.55 g/mol
LogP4.10
Rot. Bonds5

About [(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid

[(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid (PubChem CID 122703113) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is [(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
PubChem CID122703113
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name[(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
SMILESCCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](NC(=O)O)C4)ccc3n2C)cc2ccc(OC)cc21
InChIInChI=1S/C26H29N5O4/c1-4-31-22-14-19(35-3)9-7-16(22)13-23(31)24-28-20-12-17(8-10-21(20)29(24)2)25(32)30-11-5-6-18(15-30)27-26(33)34/h7-10,12-14,18,27H,4-6,11,15H2,1-3H3,(H,33,34)/t18-/m1/s1
InChIKeyCTWQZGDCHMZOPW-GOSISDBHSA-N
XLogP4.10
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid with MolForge

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Related Compounds

[(3R)-1-[2-(6-cyano-1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122702958
tert-butyl N-[(3R)-1-[2-(1-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamate
CID 118178618
tert-butyl N-[(3R)-1-[2-[1-[(4-methoxyphenyl)methyl]indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamate
CID 140927598
[(3R)-1-[2-[1-[(4-iodophenyl)methyl]indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 135355666
[(3R)-1-[1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 135355683
[1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-4-methoxypiperidin-3-yl]carbamic acid
CID 135355644
[(3R)-1-[2-(1-ethylpyrrolo[3,2-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 155433399
[1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703171
[1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703087
[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703116
[1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 155433390
tert-butyl N-[(3R)-1-[2-[1-(2-hydroxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamate
CID 140927583

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid (CID 122703113) is [(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid is CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](NC(=O)O)C4)ccc3n2C)cc2ccc(OC)cc21.
What is the InChIKey of [(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?
The InChIKey is CTWQZGDCHMZOPW-GOSISDBHSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-4-31-22-14-19(35-3)9-7-16(22)13-23(31)24-28-20-12-17(8-10-21(20)29(24)2)25(32)30-11-5-6-18(15-30)27-26(33)34/h7-10,12-14,18,27H,4-6,11,15H2,1-3H3,(H,33,34)/t18-/m1/s1.
What are the key properties of [(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?
[(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid has a molecular weight of 475.55 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 122703113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).