4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide

C15H20N4O2 — CID 146395501

IUPAC4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide
SMILESCc1cccc2c1NC(C(=O)N1CCN(C(N)=O)CC1)C2
InChIInChI=1S/C15H20N4O2/c1-10-3-2-4-11-9-12(17-13(10)11)14(20)18-5-7-19(8-6-18)15(16)21/h2-4,12,17H,5-9H2,1H3,(H2,16,21)
InChIKeyCLSRHPVTHXBGNY-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.55
Rot. Bonds1

About 4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide

4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide (PubChem CID 146395501) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide
PubChem CID146395501
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide
SMILESCc1cccc2c1NC(C(=O)N1CCN(C(N)=O)CC1)C2
InChIInChI=1S/C15H20N4O2/c1-10-3-2-4-11-9-12(17-13(10)11)14(20)18-5-7-19(8-6-18)15(16)21/h2-4,12,17H,5-9H2,1H3,(H2,16,21)
InChIKeyCLSRHPVTHXBGNY-UHFFFAOYSA-N
XLogP0.55
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(2-aminoacetyl)piperazin-1-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394587
(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 4911281
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93266197
methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 76894114
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 76903989
(4-methoxypiperidin-1-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61156076
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394447
(4-methoxypiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119275336

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of 4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide (CID 146395501) is 4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide is Cc1cccc2c1NC(C(=O)N1CCN(C(N)=O)CC1)C2.
What is the InChIKey of 4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is CLSRHPVTHXBGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-3-2-4-11-9-12(17-13(10)11)14(20)18-5-7-19(8-6-18)15(16)21/h2-4,12,17H,5-9H2,1H3,(H2,16,21).
What are the key properties of 4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide?
4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 146395501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).