[1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C17H31N3O — CID 65085268

IUPAC[1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC1CCCC(N2CCCC2C(=O)N2CCNCC2)CC1
InChIInChI=1S/C17H31N3O/c1-14-4-2-5-15(8-7-14)20-11-3-6-16(20)17(21)19-12-9-18-10-13-19/h14-16,18H,2-13H2,1H3
InChIKeyOAQVLFRLFDXWER-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.85
Rot. Bonds2

About [1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 65085268) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is [1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID65085268
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name[1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC1CCCC(N2CCCC2C(=O)N2CCNCC2)CC1
InChIInChI=1S/C17H31N3O/c1-14-4-2-5-15(8-7-14)20-11-3-6-16(20)17(21)19-12-9-18-10-13-19/h14-16,18H,2-13H2,1H3
InChIKeyOAQVLFRLFDXWER-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone
CID 54981939
[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176841
[1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 64754973
(4,4-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 62931613
[1-(oxolan-3-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 63333598
[1-(2-hydroxycyclopentyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175530
(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61019778
[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020228
(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114678294
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
[(3S)-3-hydroxypiperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 107222957
tert-butyl (2S)-1-(4-methylcyclohexyl)pyrrolidine-2-carboxylate
CID 115537275

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 65085268) is [1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is CC1CCCC(N2CCCC2C(=O)N2CCNCC2)CC1.
What is the InChIKey of [1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is OAQVLFRLFDXWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14-4-2-5-15(8-7-14)20-11-3-6-16(20)17(21)19-12-9-18-10-13-19/h14-16,18H,2-13H2,1H3.
What are the key properties of [1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 293.46 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 65085268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).