(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone

C14H27N3O — CID 63142306

IUPAC(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCC(C)N1CCN(C(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C14H27N3O/c1-4-12(2)16-7-9-17(10-8-16)13(18)14(3)5-6-15-11-14/h12,15H,4-11H2,1-3H3
InChIKeyZKWHCUIALVFNRV-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds3

About (4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone

(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 63142306) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID63142306
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCC(C)N1CCN(C(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C14H27N3O/c1-4-12(2)16-7-9-17(10-8-16)13(18)14(3)5-6-15-11-14/h12,15H,4-11H2,1-3H3
InChIKeyZKWHCUIALVFNRV-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980599
(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138776
(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63132853
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
[1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone
CID 80588050
2-methyl-1-(3-methylpyrrolidin-3-yl)butan-1-one
CID 116569893
(4-methylpiperidin-4-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103840374
2-[4-(3-methylpyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 63142520
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119843049
1-[4-(3-methylpiperidine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 63131526

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone (CID 63142306) is (4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone is CCC(C)N1CCN(C(=O)C2(C)CCNC2)CC1.
What is the InChIKey of (4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is ZKWHCUIALVFNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-12(2)16-7-9-17(10-8-16)13(18)14(3)5-6-15-11-14/h12,15H,4-11H2,1-3H3.
What are the key properties of (4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone?
(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63142306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).