(1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C14H27N3O — CID 142404110

IUPAC(1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2(C)CCCN2C)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)16-8-10-17(11-9-16)13(18)14(3)6-5-7-15(14)4/h12H,5-11H2,1-4H3
InChIKeyCBDLLHJJOPVTPG-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.02
Rot. Bonds2

About (1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 142404110) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID142404110
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2(C)CCCN2C)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)16-8-10-17(11-9-16)13(18)14(3)6-5-7-15(14)4/h12H,5-11H2,1-4H3
InChIKeyCBDLLHJJOPVTPG-UHFFFAOYSA-N
XLogP1.02
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 142404110) is (1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2(C)CCCN2C)CC1.
What is the InChIKey of (1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is CBDLLHJJOPVTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)16-8-10-17(11-9-16)13(18)14(3)6-5-7-15(14)4/h12H,5-11H2,1-4H3.
What are the key properties of (1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 142404110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).