(2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide

C27H37FN4O3 — CID 158032320

IUPAC(2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCN(C(=O)c2cc3ccc(F)cc3n2C)CC1)C1CCCCC1
InChIInChI=1S/C27H37FN4O3/c1-4-18(2)25(33)29-24(19-8-6-5-7-9-19)27(35)32-14-12-31(13-15-32)26(34)23-16-20-10-11-21(28)17-22(20)30(23)3/h10-11,16-19,24H,4-9,12-15H2,1-3H3,(H,29,33)/t18-,24+/m1/s1
InChIKeyFHIDHUWFTPLMBD-KOSHJBKYSA-N
MW484.62 g/mol
LogP3.71
Rot. Bonds6

About (2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide

(2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide (PubChem CID 158032320) has the molecular formula C27H37FN4O3 and a molecular weight of 484.62 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
PubChem CID158032320
Molecular FormulaC27H37FN4O3
Molecular Weight484.62 g/mol
Exact Mass484.28
IUPAC Name(2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCN(C(=O)c2cc3ccc(F)cc3n2C)CC1)C1CCCCC1
InChIInChI=1S/C27H37FN4O3/c1-4-18(2)25(33)29-24(19-8-6-5-7-9-19)27(35)32-14-12-31(13-15-32)26(34)23-16-20-10-11-21(28)17-22(20)30(23)3/h10-11,16-19,24H,4-9,12-15H2,1-3H3,(H,29,33)/t18-,24+/m1/s1
InChIKeyFHIDHUWFTPLMBD-KOSHJBKYSA-N
XLogP3.71
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1S)-1-cyclohexyl-2-[(3S)-4-(6-methoxy-1-methylindole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 158272104
(2S)-N-[(1S)-1-cyclohexyl-2-[3-(5,6-difluoro-1-methylindole-2-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 172746078
(2S)-N-[1-cyclohexyl-2-[(1S,5R)-3-(5,6-difluoro-1-methylindole-2-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 170059736
N-[(1R)-1-cyclohexyl-2-[4-[5,6-difluoro-1-[2-(2-phenylmethoxyethoxy)ethyl]indole-2-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 146319020
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone
CID 110853540
(1-methylindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380576
tert-butyl N-[(1S)-1-cyclohexyl-2-[4-(6-methoxy-1-methylindole-2-carbonyl)-2-methylpiperazin-1-yl]-2-oxoethyl]carbamate
CID 175103893
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone
CID 67170382
N-[1-cyclohexyl-2-[2-[2-(4-fluorophenyl)-4-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 58111978
N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide
CID 110848424
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 58492264
[(2S)-1-[[(1S)-1-cyclohexyl-2-[4-(5,6-difluoro-3-formyl-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl] N-methylcarbamate
CID 156632550

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide (CID 158032320) is (2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCN(C(=O)c2cc3ccc(F)cc3n2C)CC1)C1CCCCC1.
What is the InChIKey of (2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide?
The InChIKey is FHIDHUWFTPLMBD-KOSHJBKYSA-N. The full InChI is InChI=1S/C27H37FN4O3/c1-4-18(2)25(33)29-24(19-8-6-5-7-9-19)27(35)32-14-12-31(13-15-32)26(34)23-16-20-10-11-21(28)17-22(20)30(23)3/h10-11,16-19,24H,4-9,12-15H2,1-3H3,(H,29,33)/t18-,24+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide?
(2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide has a molecular weight of 484.62 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide is sourced from PubChem (CID 158032320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).