cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone

C21H27N3O2 — CID 110801629

IUPACcyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c2ccccc2n1C
InChIInChI=1S/C21H27N3O2/c1-15-19(17-9-5-6-10-18(17)22(15)2)21(26)24-13-11-23(12-14-24)20(25)16-7-3-4-8-16/h5-6,9-10,16H,3-4,7-8,11-14H2,1-2H3
InChIKeyXZAFCPKZEUZJKR-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.96
Rot. Bonds2

About cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone

cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 110801629) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID110801629
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Namecyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c2ccccc2n1C
InChIInChI=1S/C21H27N3O2/c1-15-19(17-9-5-6-10-18(17)22(15)2)21(26)24-13-11-23(12-14-24)20(25)16-7-3-4-8-16/h5-6,9-10,16H,3-4,7-8,11-14H2,1-2H3
InChIKeyXZAFCPKZEUZJKR-UHFFFAOYSA-N
XLogP2.96
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
CID 110803299
(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815350
(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809906
1-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803980
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110801875
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(1,2-dimethylindol-3-yl)ethanone
CID 110800544
4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805060
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124992841
1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione
CID 7087156
ethyl (3R)-1-[2-(1,2-dimethylindol-3-yl)-2-oxoacetyl]piperidine-3-carboxylate
CID 7087159

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone (CID 110801629) is cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c2ccccc2n1C.
What is the InChIKey of cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is XZAFCPKZEUZJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-19(17-9-5-6-10-18(17)22(15)2)21(26)24-13-11-23(12-14-24)20(25)16-7-3-4-8-16/h5-6,9-10,16H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone?
cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110801629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).