N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide

C16H21N3O2 — CID 99782343

IUPACN-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc2c(c1)[C@@H](NC(=O)N1CCNC(=O)C1)[C@@H](C)C2
InChIInChI=1S/C16H21N3O2/c1-10-3-4-12-8-11(2)15(13(12)7-10)18-16(21)19-6-5-17-14(20)9-19/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,17,20)(H,18,21)/t11-,15-/m0/s1
InChIKeyIGRACLWHVWCCEO-NHYWBVRUSA-N
MW287.36 g/mol
LogP1.37
Rot. Bonds1

About N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide

N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide (PubChem CID 99782343) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide
PubChem CID99782343
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc2c(c1)[C@@H](NC(=O)N1CCNC(=O)C1)[C@@H](C)C2
InChIInChI=1S/C16H21N3O2/c1-10-3-4-12-8-11(2)15(13(12)7-10)18-16(21)19-6-5-17-14(20)9-19/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,17,20)(H,18,21)/t11-,15-/m0/s1
InChIKeyIGRACLWHVWCCEO-NHYWBVRUSA-N
XLogP1.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide with MolForge

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Related Compounds

N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 110024706
(1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 173049230
4-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 120552413
N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
CID 75454935
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
4-[2-(3-methylphenyl)acetyl]piperazin-2-one
CID 55126787
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110024695
N-cycloheptyl-3-oxopiperazine-1-carboxamide
CID 119103460
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 110024645
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide (CID 99782343) is N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide is Cc1ccc2c(c1)[C@@H](NC(=O)N1CCNC(=O)C1)[C@@H](C)C2.
What is the InChIKey of N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide?
The InChIKey is IGRACLWHVWCCEO-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-3-4-12-8-11(2)15(13(12)7-10)18-16(21)19-6-5-17-14(20)9-19/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,17,20)(H,18,21)/t11-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide?
N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 99782343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).