[(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone

C21H27N3O3 — CID 92632990

IUPAC[(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
SMILESCc1ccc2c(c1)cc(C(=O)N1CCO[C@H](C(=O)N3CCCCC3)C1)n2C
InChIInChI=1S/C21H27N3O3/c1-15-6-7-17-16(12-15)13-18(22(17)2)20(25)24-10-11-27-19(14-24)21(26)23-8-4-3-5-9-23/h6-7,12-13,19H,3-5,8-11,14H2,1-2H3/t19-/m0/s1
InChIKeyWHBBIHDBAWNXAV-IBGZPJMESA-N
MW369.47 g/mol
LogP2.34
Rot. Bonds2

About [(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone

[(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone (PubChem CID 92632990) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
PubChem CID92632990
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
SMILESCc1ccc2c(c1)cc(C(=O)N1CCO[C@H](C(=O)N3CCCCC3)C1)n2C
InChIInChI=1S/C21H27N3O3/c1-15-6-7-17-16(12-15)13-18(22(17)2)20(25)24-10-11-27-19(14-24)21(26)23-8-4-3-5-9-23/h6-7,12-13,19H,3-5,8-11,14H2,1-2H3/t19-/m0/s1
InChIKeyWHBBIHDBAWNXAV-IBGZPJMESA-N
XLogP2.34
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 110246401
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46977726
(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110853525
(1,5-dimethylindol-2-yl)-piperazin-1-ylmethanone
CID 110833415
[(2R)-4-(2-ethylpyrazole-3-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 92632860
(1,5-dimethylindol-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 46979809
(2R)-4-(1,5-dimethylindole-2-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632573
(3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92633380
(3R)-1-(1,5-dimethylindole-2-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633329
(1,7-dimethylindol-2-yl)-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 72888830
azepan-1-yl-[(2S)-4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone
CID 92632850

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone (CID 92632990) is [(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone is Cc1ccc2c(c1)cc(C(=O)N1CCO[C@H](C(=O)N3CCCCC3)C1)n2C.
What is the InChIKey of [(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is WHBBIHDBAWNXAV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-6-7-17-16(12-15)13-18(22(17)2)20(25)24-10-11-27-19(14-24)21(26)23-8-4-3-5-9-23/h6-7,12-13,19H,3-5,8-11,14H2,1-2H3/t19-/m0/s1.
What are the key properties of [(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone?
[(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 369.47 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 92632990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).