[(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

C17H33N5O — CID 166945972

IUPAC[(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCN1CCC(N2CCN(C(=O)[C@H]3CN(N)CC3(C)C)CC2)CC1
InChIInChI=1S/C17H33N5O/c1-17(2)13-22(18)12-15(17)16(23)21-10-8-20(9-11-21)14-4-6-19(3)7-5-14/h14-15H,4-13,18H2,1-3H3/t15-/m1/s1
InChIKeyWOTKLHGULLDWPQ-OAHLLOKOSA-N
MW323.49 g/mol
LogP0.06
Rot. Bonds2

About [(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

[(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (PubChem CID 166945972) has the molecular formula C17H33N5O and a molecular weight of 323.49 g/mol. Its IUPAC name is [(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
PubChem CID166945972
Molecular FormulaC17H33N5O
Molecular Weight323.49 g/mol
Exact Mass323.27
IUPAC Name[(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCN1CCC(N2CCN(C(=O)[C@H]3CN(N)CC3(C)C)CC2)CC1
InChIInChI=1S/C17H33N5O/c1-17(2)13-22(18)12-15(17)16(23)21-10-8-20(9-11-21)14-4-6-19(3)7-5-14/h14-15H,4-13,18H2,1-3H3/t15-/m1/s1
InChIKeyWOTKLHGULLDWPQ-OAHLLOKOSA-N
XLogP0.06
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze [(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone
CID 169029207
[(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166948270
(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945971
(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 169029279
[(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone
CID 176796888
[(3R)-1-tert-butyl-4,4-dimethylpyrrolidin-3-yl]-[4-(4-methylcyclohexyl)piperazin-1-yl]methanone
CID 177134902
ethane;4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 143900234
[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945999
(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 174315693
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

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (CID 166945972) is [(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is CN1CCC(N2CCN(C(=O)[C@H]3CN(N)CC3(C)C)CC2)CC1.
What is the InChIKey of [(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is WOTKLHGULLDWPQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H33N5O/c1-17(2)13-22(18)12-15(17)16(23)21-10-8-20(9-11-21)14-4-6-19(3)7-5-14/h14-15H,4-13,18H2,1-3H3/t15-/m1/s1.
What are the key properties of [(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
[(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 323.49 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 166945972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).