(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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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).