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

C26H32N4O2 — CID 92560138

IUPAC1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1ccc2[nH]c([C@@H]3CCCN(C(=O)CCN4CCOCC4)C3)c(-c3ccncc3)c2c1
InChIInChI=1S/C26H32N4O2/c1-19-4-5-23-22(17-19)25(20-6-9-27-10-7-20)26(28-23)21-3-2-11-30(18-21)24(31)8-12-29-13-15-32-16-14-29/h4-7,9-10,17,21,28H,2-3,8,11-16,18H2,1H3/t21-/m1/s1
InChIKeyNDATVAYYMVUACL-OAQYLSRUSA-N
MW432.57 g/mol
LogP3.97
Rot. Bonds5

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

1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 92560138) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID92560138
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1ccc2[nH]c([C@@H]3CCCN(C(=O)CCN4CCOCC4)C3)c(-c3ccncc3)c2c1
InChIInChI=1S/C26H32N4O2/c1-19-4-5-23-22(17-19)25(20-6-9-27-10-7-20)26(28-23)21-3-2-11-30(18-21)24(31)8-12-29-13-15-32-16-14-29/h4-7,9-10,17,21,28H,2-3,8,11-16,18H2,1H3/t21-/m1/s1
InChIKeyNDATVAYYMVUACL-OAQYLSRUSA-N
XLogP3.97
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Launch Full Analysis

Related Compounds

1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 171666983
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110237052
1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
CID 95856126
(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
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-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 51586304
(5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 110237322
[(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
1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 110237326
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 124827560
2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 110236867

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 92560138) is 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CCN4CCOCC4)C3)c(-c3ccncc3)c2c1.
What is the InChIKey of 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is NDATVAYYMVUACL-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19-4-5-23-22(17-19)25(20-6-9-27-10-7-20)26(28-23)21-3-2-11-30(18-21)24(31)8-12-29-13-15-32-16-14-29/h4-7,9-10,17,21,28H,2-3,8,11-16,18H2,1H3/t21-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 432.57 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 92560138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).