(2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide

C18H26N4O2 — CID 99826139

IUPAC(2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
SMILESCC(C)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc2c(c1)N(C)CC2
InChIInChI=1S/C18H26N4O2/c1-12(2)10-16-17(23)19-7-9-22(16)18(24)20-14-5-4-13-6-8-21(3)15(13)11-14/h4-5,11-12,16H,6-10H2,1-3H3,(H,19,23)(H,20,24)/t16-/m0/s1
InChIKeyBYQZBTIKYKJLKQ-INIZCTEOSA-N
MW330.43 g/mol
LogP2.06
Rot. Bonds3

About (2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide

(2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide (PubChem CID 99826139) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
PubChem CID99826139
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
SMILESCC(C)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc2c(c1)N(C)CC2
InChIInChI=1S/C18H26N4O2/c1-12(2)10-16-17(23)19-7-9-22(16)18(24)20-14-5-4-13-6-8-21(3)15(13)11-14/h4-5,11-12,16H,6-10H2,1-3H3,(H,19,23)(H,20,24)/t16-/m0/s1
InChIKeyBYQZBTIKYKJLKQ-INIZCTEOSA-N
XLogP2.06
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99825783
(2S)-N-[3-(dimethylamino)-2-methylphenyl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99826136
(2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide
CID 129471674
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 118789970
N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 63604915
3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide
CID 110729245
2-[(1-methyl-2,3-dihydroindol-6-yl)carbamoylamino]propanamide
CID 175745823
2,2,2-trifluoro-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 153408429
4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one
CID 136534377
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
(2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 95979462
(2S)-N-(3-methoxy-2,4-dimethylphenyl)-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide
CID 129487731

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide (CID 99826139) is (2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide is CC(C)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc2c(c1)N(C)CC2.
What is the InChIKey of (2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is BYQZBTIKYKJLKQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(2)10-16-17(23)19-7-9-22(16)18(24)20-14-5-4-13-6-8-21(3)15(13)11-14/h4-5,11-12,16H,6-10H2,1-3H3,(H,19,23)(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
(2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 99826139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).