(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone

C20H27N3O — CID 125155690

IUPAC(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
SMILESCCn1ccc2cc(C(=O)N3CC(N4CCCC[C@H]4C)C3)ccc21
InChIInChI=1S/C20H27N3O/c1-3-21-11-9-16-12-17(7-8-19(16)21)20(24)22-13-18(14-22)23-10-5-4-6-15(23)2/h7-9,11-12,15,18H,3-6,10,13-14H2,1-2H3/t15-/m1/s1
InChIKeyCYBSMPWHCQJJFP-OAHLLOKOSA-N
MW325.46 g/mol
LogP3.36
Rot. Bonds3

About (1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone

(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone (PubChem CID 125155690) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
PubChem CID125155690
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
SMILESCCn1ccc2cc(C(=O)N3CC(N4CCCC[C@H]4C)C3)ccc21
InChIInChI=1S/C20H27N3O/c1-3-21-11-9-16-12-17(7-8-19(16)21)20(24)22-13-18(14-22)23-10-5-4-6-15(23)2/h7-9,11-12,15,18H,3-6,10,13-14H2,1-2H3/t15-/m1/s1
InChIKeyCYBSMPWHCQJJFP-OAHLLOKOSA-N
XLogP3.36
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone
CID 68624872
[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 74246562
(1-ethylindol-5-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95896712
[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 119067455
(3S)-4-(cyclopropylmethyl)-1-(1-ethylindole-5-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95563767
6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile
CID 126452632
(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 97189656
1-(1-ethylindol-5-yl)butan-1-one
CID 71284644
[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]phenyl]-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 126435260
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 164699560
(5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 118763819
3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71819831

Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of (1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone (CID 125155690) is (1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for (1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone is CCn1ccc2cc(C(=O)N3CC(N4CCCC[C@H]4C)C3)ccc21.
What is the InChIKey of (1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone?
The InChIKey is CYBSMPWHCQJJFP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-21-11-9-16-12-17(7-8-19(16)21)20(24)22-13-18(14-22)23-10-5-4-6-15(23)2/h7-9,11-12,15,18H,3-6,10,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone?
(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone has a molecular weight of 325.46 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 125155690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).