(2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone

C17H30N4O2 — CID 120571063

IUPAC(2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
SMILESCC1NCCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1C
InChIInChI=1S/C17H30N4O2/c1-13-14(2)21(12-7-18-13)16(22)15-5-10-20(11-6-15)17(23)19-8-3-4-9-19/h13-15,18H,3-12H2,1-2H3
InChIKeyPEDRXOPUWPIWAQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.12
Rot. Bonds1

About (2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone

(2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone (PubChem CID 120571063) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
PubChem CID120571063
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
SMILESCC1NCCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1C
InChIInChI=1S/C17H30N4O2/c1-13-14(2)21(12-7-18-13)16(22)15-5-10-20(11-6-15)17(23)19-8-3-4-9-19/h13-15,18H,3-12H2,1-2H3
InChIKeyPEDRXOPUWPIWAQ-UHFFFAOYSA-N
XLogP1.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one
CID 120572888
4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride
CID 120572547
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
(1-butylsulfonylpiperidin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572115
(4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
CID 120569626
(2,3-dimethylpiperazin-1-yl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 120569400
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120573054
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572103
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 120572102
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 60611198
(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 120572048

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone (CID 120571063) is (2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone is CC1NCCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1C.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The InChIKey is PEDRXOPUWPIWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13-14(2)21(12-7-18-13)16(22)15-5-10-20(11-6-15)17(23)19-8-3-4-9-19/h13-15,18H,3-12H2,1-2H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
(2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone has a molecular weight of 322.45 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 120571063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).