[1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C17H31N3O — CID 64754973

IUPAC[1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC1CCC(C)C(N2CCCC2C(=O)N2CCNCC2)C1
InChIInChI=1S/C17H31N3O/c1-13-5-6-14(2)16(12-13)20-9-3-4-15(20)17(21)19-10-7-18-8-11-19/h13-16,18H,3-12H2,1-2H3
InChIKeyJAQRJOJOTPILMT-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.71
Rot. Bonds2

About [1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 64754973) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is [1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID64754973
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name[1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC1CCC(C)C(N2CCCC2C(=O)N2CCNCC2)C1
InChIInChI=1S/C17H31N3O/c1-13-5-6-14(2)16(12-13)20-9-3-4-15(20)17(21)19-10-7-18-8-11-19/h13-16,18H,3-12H2,1-2H3
InChIKeyJAQRJOJOTPILMT-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65085268
[1-(2-hydroxycyclopentyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175530
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
(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
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
(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
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 64754973) is [1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is CC1CCC(C)C(N2CCCC2C(=O)N2CCNCC2)C1.
What is the InChIKey of [1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is JAQRJOJOTPILMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13-5-6-14(2)16(12-13)20-9-3-4-15(20)17(21)19-10-7-18-8-11-19/h13-16,18H,3-12H2,1-2H3.
What are the key properties of [1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 293.45 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylcyclohexyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 64754973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).