(4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone

C14H25N3O — CID 90447183

IUPAC(4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C14H25N3O/c1-12-4-6-16(7-5-12)14(18)17-10-8-15(9-11-17)13-2-3-13/h12-13H,2-11H2,1H3
InChIKeyWQIIMJKPARSFRD-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.62
Rot. Bonds1

About (4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone

(4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 90447183) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID90447183
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C14H25N3O/c1-12-4-6-16(7-5-12)14(18)17-10-8-15(9-11-17)13-2-3-13/h12-13H,2-11H2,1H3
InChIKeyWQIIMJKPARSFRD-UHFFFAOYSA-N
XLogP1.62
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone (CID 90447183) is (4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)N2CCN(C3CC3)CC2)CC1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WQIIMJKPARSFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12-4-6-16(7-5-12)14(18)17-10-8-15(9-11-17)13-2-3-13/h12-13H,2-11H2,1H3.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone?
(4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 251.37 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 90447183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).