(3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone

C16H20ClN3O2 — CID 95607083

IUPAC(3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESC[C@H](O)CN1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1
InChIInChI=1S/C16H20ClN3O2/c1-11(21)10-19-6-8-20(9-7-19)16(22)15-14(17)12-4-2-3-5-13(12)18-15/h2-5,11,18,21H,6-10H2,1H3/t11-/m0/s1
InChIKeyDYHXKMOOFWFHJP-NSHDSACASA-N
MW321.81 g/mol
LogP1.96
Rot. Bonds3

About (3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone

(3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 95607083) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is (3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID95607083
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name(3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESC[C@H](O)CN1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1
InChIInChI=1S/C16H20ClN3O2/c1-11(21)10-19-6-8-20(9-7-19)16(22)15-14(17)12-4-2-3-5-13(12)18-15/h2-5,11,18,21H,6-10H2,1H3/t11-/m0/s1
InChIKeyDYHXKMOOFWFHJP-NSHDSACASA-N
XLogP1.96
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 56802473
(3-chloro-1H-indol-2-yl)-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72929030
1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257549
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 95350137
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
(4-chlorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013270
(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337497
3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 94719688
2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide
CID 1239368
(4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779864
2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55913568

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of (3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 95607083) is (3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is C[C@H](O)CN1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1.
What is the InChIKey of (3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is DYHXKMOOFWFHJP-NSHDSACASA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11(21)10-19-6-8-20(9-7-19)16(22)15-14(17)12-4-2-3-5-13(12)18-15/h2-5,11,18,21H,6-10H2,1H3/t11-/m0/s1.
What are the key properties of (3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
(3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 321.81 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95607083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).