[1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate

C25H34N4O5 — CID 146318948

IUPAC[1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate
SMILESCOc1ccc2cc(C(=O)N3CCN(C(=O)C(OC(N)=O)C4CCCCC4)[C@@H](C)C3)n(C)c2c1
InChIInChI=1S/C25H34N4O5/c1-16-15-28(23(30)21-13-18-9-10-19(33-3)14-20(18)27(21)2)11-12-29(16)24(31)22(34-25(26)32)17-7-5-4-6-8-17/h9-10,13-14,16-17,22H,4-8,11-12,15H2,1-3H3,(H2,26,32)/t16-,22?/m0/s1
InChIKeyGYPWARKLZNEGIP-CISYCMJJSA-N
MW470.57 g/mol
LogP2.90
Rot. Bonds5

About [1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate

[1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate (PubChem CID 146318948) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is [1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate.

Molecular Properties

Compound Name[1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate
PubChem CID146318948
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Name[1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate
SMILESCOc1ccc2cc(C(=O)N3CCN(C(=O)C(OC(N)=O)C4CCCCC4)[C@@H](C)C3)n(C)c2c1
InChIInChI=1S/C25H34N4O5/c1-16-15-28(23(30)21-13-18-9-10-19(33-3)14-20(18)27(21)2)11-12-29(16)24(31)22(34-25(26)32)17-7-5-4-6-8-17/h9-10,13-14,16-17,22H,4-8,11-12,15H2,1-3H3,(H2,26,32)/t16-,22?/m0/s1
InChIKeyGYPWARKLZNEGIP-CISYCMJJSA-N
XLogP2.90
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S)-1-cyclohexyl-2-[4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl]carbamate
CID 175103893
(2R)-N-[(1S)-1-cyclohexyl-2-[(3S)-4-(6-methoxy-1-methylindole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 158272104
tert-butyl (3R)-4-(6-methoxy-1-methylindole-2-carbonyl)-3-methylpiperazine-1-carboxylate
CID 146318904
tert-butyl (3S)-4-(6-methoxy-1-methylindole-2-carbonyl)-3-methylpiperazine-1-carboxylate;6-methoxy-1-methylindole
CID 146318920
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
CID 95120636
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
CID 110849904
[(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 25289588
ethyl 2-[1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-2-yl]acetate
CID 70733882
(2S,4S)-4-amino-1-(6-methoxy-1-methylindole-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 56710618
[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
CID 95120952
11-(6-methoxy-1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 171152557
2-[4-(2-bromo-5-methoxybenzoyl)-3-methylpiperazin-1-yl]-2-oxoacetamide
CID 68777901

Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate?
The IUPAC name of [1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate (CID 146318948) is [1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate.
What is the SMILES notation for [1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate?
The canonical SMILES for [1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate is COc1ccc2cc(C(=O)N3CCN(C(=O)C(OC(N)=O)C4CCCCC4)[C@@H](C)C3)n(C)c2c1.
What is the InChIKey of [1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate?
The InChIKey is GYPWARKLZNEGIP-CISYCMJJSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-16-15-28(23(30)21-13-18-9-10-19(33-3)14-20(18)27(21)2)11-12-29(16)24(31)22(34-25(26)32)17-7-5-4-6-8-17/h9-10,13-14,16-17,22H,4-8,11-12,15H2,1-3H3,(H2,26,32)/t16-,22?/m0/s1.
What are the key properties of [1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate?
[1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate has a molecular weight of 470.57 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-2-[(2S)-4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl] carbamate is sourced from PubChem (CID 146318948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).