(1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone

C18H25N3O2 — CID 95607135

IUPAC(1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCCn1c(C(=O)N2CCN(C[C@@H](C)O)CC2)cc2ccccc21
InChIInChI=1S/C18H25N3O2/c1-3-21-16-7-5-4-6-15(16)12-17(21)18(23)20-10-8-19(9-11-20)13-14(2)22/h4-7,12,14,22H,3,8-11,13H2,1-2H3/t14-/m1/s1
InChIKeyKQWYCNQKILFMIC-CQSZACIVSA-N
MW315.42 g/mol
LogP1.80
Rot. Bonds4

About (1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone

(1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 95607135) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID95607135
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCCn1c(C(=O)N2CCN(C[C@@H](C)O)CC2)cc2ccccc21
InChIInChI=1S/C18H25N3O2/c1-3-21-16-7-5-4-6-15(16)12-17(21)18(23)20-10-8-19(9-11-20)13-14(2)22/h4-7,12,14,22H,3,8-11,13H2,1-2H3/t14-/m1/s1
InChIKeyKQWYCNQKILFMIC-CQSZACIVSA-N
XLogP1.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 76867455
(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606910
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 55923290
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 29140119
(4-chloro-1-methylpyrrol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95353536
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 97038933
3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid
CID 129414879
1-[4-(2-hydroxypropyl)piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 154740262
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95606856
1-ethylindole-2-carbohydrazide
CID 166595239
(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 42669611

Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of (1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 95607135) is (1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone is CCn1c(C(=O)N2CCN(C[C@@H](C)O)CC2)cc2ccccc21.
What is the InChIKey of (1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is KQWYCNQKILFMIC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-21-16-7-5-4-6-15(16)12-17(21)18(23)20-10-8-19(9-11-20)13-14(2)22/h4-7,12,14,22H,3,8-11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
(1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95607135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).