1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine

C17H34N4O2S — CID 66754979

IUPAC1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine
SMILESCN1CCC(N2CCN(S(=O)(=O)CCCC3CCCN3)CC2)CC1
InChIInChI=1S/C17H34N4O2S/c1-19-9-6-17(7-10-19)20-11-13-21(14-12-20)24(22,23)15-3-5-16-4-2-8-18-16/h16-18H,2-15H2,1H3
InChIKeyJVUGVTQGKHONQN-UHFFFAOYSA-N
MW358.55 g/mol
LogP0.56
Rot. Bonds6

About 1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine

1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine (PubChem CID 66754979) has the molecular formula C17H34N4O2S and a molecular weight of 358.55 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine
PubChem CID66754979
Molecular FormulaC17H34N4O2S
Molecular Weight358.55 g/mol
Exact Mass358.24
IUPAC Name1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine
SMILESCN1CCC(N2CCN(S(=O)(=O)CCCC3CCCN3)CC2)CC1
InChIInChI=1S/C17H34N4O2S/c1-19-9-6-17(7-10-19)20-11-13-21(14-12-20)24(22,23)15-3-5-16-4-2-8-18-16/h16-18H,2-15H2,1H3
InChIKeyJVUGVTQGKHONQN-UHFFFAOYSA-N
XLogP0.56
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51359857
2-Cyclopentyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51360713
2-Cyclohexyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51359914
1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
CID 123425452
1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 123725074
1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 130280414
1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 134321932
2-[1-(Piperidin-2-yl)ethyl]-1lambda6,2-thiazolidine-1,1-dione
CID 43523037
1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine
CID 59367722
1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride
CID 66754977
1-(1-Methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine;trihydrochloride
CID 66754978
(S)-1-(1-Methylpiperidin-4-yl)-4-(3-(pyrrolidin-2-yl)propylsulfonyl)piperazine hydrochloride
CID 66755244

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine (CID 66754979) is 1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine is CN1CCC(N2CCN(S(=O)(=O)CCCC3CCCN3)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine?
The InChIKey is JVUGVTQGKHONQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2S/c1-19-9-6-17(7-10-19)20-11-13-21(14-12-20)24(22,23)15-3-5-16-4-2-8-18-16/h16-18H,2-15H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine?
1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine has a molecular weight of 358.55 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine is sourced from PubChem (CID 66754979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).