[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone

C19H27N3O2 — CID 95337500

IUPAC[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone
SMILESCC(C)c1ccc2cc(C(=O)N3CCN(C[C@H](C)O)CC3)[nH]c2c1
InChIInChI=1S/C19H27N3O2/c1-13(2)15-4-5-16-11-18(20-17(16)10-15)19(24)22-8-6-21(7-9-22)12-14(3)23/h4-5,10-11,13-14,20,23H,6-9,12H2,1-3H3/t14-/m0/s1
InChIKeyYBIBVEKPJQDQAA-AWEZNQCLSA-N
MW329.44 g/mol
LogP2.43
Rot. Bonds4

About [4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone

[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone (PubChem CID 95337500) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone
PubChem CID95337500
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone
SMILESCC(C)c1ccc2cc(C(=O)N3CCN(C[C@H](C)O)CC3)[nH]c2c1
InChIInChI=1S/C19H27N3O2/c1-13(2)15-4-5-16-11-18(20-17(16)10-15)19(24)22-8-6-21(7-9-22)12-14(3)23/h4-5,10-11,13-14,20,23H,6-9,12H2,1-3H3/t14-/m0/s1
InChIKeyYBIBVEKPJQDQAA-AWEZNQCLSA-N
XLogP2.43
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone?
The IUPAC name of [4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone (CID 95337500) is [4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone?
The canonical SMILES for [4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone is CC(C)c1ccc2cc(C(=O)N3CCN(C[C@H](C)O)CC3)[nH]c2c1.
What is the InChIKey of [4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone?
The InChIKey is YBIBVEKPJQDQAA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(2)15-4-5-16-11-18(20-17(16)10-15)19(24)22-8-6-21(7-9-22)12-14(3)23/h4-5,10-11,13-14,20,23H,6-9,12H2,1-3H3/t14-/m0/s1.
What are the key properties of [4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone?
[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone has a molecular weight of 329.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone is sourced from PubChem (CID 95337500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).