(2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one

C26H32N4O2 — CID 92560117

IUPAC(2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@H](C)N4CCOCC4)C3)c(-c3ccncc3)c2c1
InChIInChI=1S/C26H32N4O2/c1-18-5-6-23-22(16-18)24(20-7-9-27-10-8-20)25(28-23)21-4-3-11-30(17-21)26(31)19(2)29-12-14-32-15-13-29/h5-10,16,19,21,28H,3-4,11-15,17H2,1-2H3/t19-,21-/m0/s1
InChIKeyYASMEVCIGUFZJB-FPOVZHCZSA-N
MW432.57 g/mol
LogP3.97
Rot. Bonds4

About (2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one

(2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 92560117) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID92560117
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name(2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@H](C)N4CCOCC4)C3)c(-c3ccncc3)c2c1
InChIInChI=1S/C26H32N4O2/c1-18-5-6-23-22(16-18)24(20-7-9-27-10-8-20)25(28-23)21-4-3-11-30(17-21)26(31)19(2)29-12-14-32-15-13-29/h5-10,16,19,21,28H,3-4,11-15,17H2,1-2H3/t19-,21-/m0/s1
InChIKeyYASMEVCIGUFZJB-FPOVZHCZSA-N
XLogP3.97
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 92560138
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 171666983
(5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 110237322
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 51586304
1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
CID 95856126
[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95856127
[1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 46953377
(2S)-1-[(3R)-3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 51586753
1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 110237326
3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 95856296
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110237052
(2S)-1-[(3R)-3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 29258174

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one (CID 92560117) is (2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one is Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@H](C)N4CCOCC4)C3)c(-c3ccncc3)c2c1.
What is the InChIKey of (2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is YASMEVCIGUFZJB-FPOVZHCZSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-18-5-6-23-22(16-18)24(20-7-9-27-10-8-20)25(28-23)21-4-3-11-30(17-21)26(31)19(2)29-12-14-32-15-13-29/h5-10,16,19,21,28H,3-4,11-15,17H2,1-2H3/t19-,21-/m0/s1.
What are the key properties of (2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
(2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 432.57 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 92560117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).