4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide

C17H24N4O2 — CID 96536158

IUPAC4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide
SMILESCC[C@@H](CO)N1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C17H24N4O2/c1-2-15(12-22)20-7-9-21(10-8-20)17(23)19-14-3-4-16-13(11-14)5-6-18-16/h3-6,11,15,18,22H,2,7-10,12H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyGIOJDLAYDXAROM-HNNXBMFYSA-N
MW316.40 g/mol
LogP2.09
Rot. Bonds4

About 4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide

4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide (PubChem CID 96536158) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide
PubChem CID96536158
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide
SMILESCC[C@@H](CO)N1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C17H24N4O2/c1-2-15(12-22)20-7-9-21(10-8-20)17(23)19-14-3-4-16-13(11-14)5-6-18-16/h3-6,11,15,18,22H,2,7-10,12H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyGIOJDLAYDXAROM-HNNXBMFYSA-N
XLogP2.09
TPSA71.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519710
N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519709
N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
CID 72870748
4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 95788878
N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519706
(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride
CID 119278221
N-[4-fluoro-2-(1H-indol-5-ylcarbamoyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 52898372
4-butan-2-yl-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113104199
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 63338979
N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 71973172
2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide
CID 115432352

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide (CID 96536158) is 4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide is CC[C@@H](CO)N1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide?
The InChIKey is GIOJDLAYDXAROM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-15(12-22)20-7-9-21(10-8-20)17(23)19-14-3-4-16-13(11-14)5-6-18-16/h3-6,11,15,18,22H,2,7-10,12H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of 4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide?
4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 96536158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).