[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone

C18H34N4O — CID 169029207

IUPAC[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone
SMILESCN1CCC(N2CCN(C(=O)C3CN(C)CC3(C)C)CC2)CC1
InChIInChI=1S/C18H34N4O/c1-18(2)14-20(4)13-16(18)17(23)22-11-9-21(10-12-22)15-5-7-19(3)8-6-15/h15-16H,5-14H2,1-4H3
InChIKeyUCPFRHGHAITULO-UHFFFAOYSA-N
MW322.50 g/mol
LogP0.81
Rot. Bonds2

About [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone

[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone (PubChem CID 169029207) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone
PubChem CID169029207
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone
SMILESCN1CCC(N2CCN(C(=O)C3CN(C)CC3(C)C)CC2)CC1
InChIInChI=1S/C18H34N4O/c1-18(2)14-20(4)13-16(18)17(23)22-11-9-21(10-12-22)15-5-7-19(3)8-6-15/h15-16H,5-14H2,1-4H3
InChIKeyUCPFRHGHAITULO-UHFFFAOYSA-N
XLogP0.81
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945972
[(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166948270
(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 169029279
[(3R)-1-tert-butyl-4,4-dimethylpyrrolidin-3-yl]-[4-(4-methylcyclohexyl)piperazin-1-yl]methanone
CID 177134902
[(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone
CID 176796888
(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945971
[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945999
ethane;4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 143900234
ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
CID 176568951
N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121
[(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone
CID 170144874
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone?
The IUPAC name of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone (CID 169029207) is [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone?
The canonical SMILES for [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone is CN1CCC(N2CCN(C(=O)C3CN(C)CC3(C)C)CC2)CC1.
What is the InChIKey of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone?
The InChIKey is UCPFRHGHAITULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-18(2)14-20(4)13-16(18)17(23)22-11-9-21(10-12-22)15-5-7-19(3)8-6-15/h15-16H,5-14H2,1-4H3.
What are the key properties of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone?
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone has a molecular weight of 322.50 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 169029207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).