N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide

C15H21N3O — CID 107855875

IUPACN-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)NC2Cc3ccccc3C2)CN1
InChIInChI=1S/C15H21N3O/c1-10-8-17-14(9-16-10)15(19)18-13-6-11-4-2-3-5-12(11)7-13/h2-5,10,13-14,16-17H,6-9H2,1H3,(H,18,19)
InChIKeyPITVCQZRSMOOFK-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.22
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide (PubChem CID 107855875) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide
PubChem CID107855875
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)NC2Cc3ccccc3C2)CN1
InChIInChI=1S/C15H21N3O/c1-10-8-17-14(9-16-10)15(19)18-13-6-11-4-2-3-5-12(11)7-13/h2-5,10,13-14,16-17H,6-9H2,1H3,(H,18,19)
InChIKeyPITVCQZRSMOOFK-UHFFFAOYSA-N
XLogP0.22
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,3-dihydro-1H-inden-2-yl)pyrrolidine-2-carboxamide
CID 114007941
5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide
CID 63103124
N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide
CID 63102745
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone
CID 63526190
(3S)-N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896600
N-(2,3-dihydro-1H-inden-2-yl)piperidine-4-carboxamide
CID 68885469
N-(5-oxopyrrolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106187443
CID 153368411
CID 153368411
N-(3-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285436
(2R)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119688067
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119270483
(3S)-N-(1-acetylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97311671

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide (CID 107855875) is N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide is CC1CNC(C(=O)NC2Cc3ccccc3C2)CN1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide?
The InChIKey is PITVCQZRSMOOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-8-17-14(9-16-10)15(19)18-13-6-11-4-2-3-5-12(11)7-13/h2-5,10,13-14,16-17H,6-9H2,1H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 107855875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).