(3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone

C16H26N4O — CID 63634555

IUPAC(3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESCC1CN(C(=O)c2cccn2C2CCNCC2)CCN1C
InChIInChI=1S/C16H26N4O/c1-13-12-19(11-10-18(13)2)16(21)15-4-3-9-20(15)14-5-7-17-8-6-14/h3-4,9,13-14,17H,5-8,10-12H2,1-2H3
InChIKeyMZVVVPYUOLBCPQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.19
Rot. Bonds2

About (3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone

(3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone (PubChem CID 63634555) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
PubChem CID63634555
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESCC1CN(C(=O)c2cccn2C2CCNCC2)CCN1C
InChIInChI=1S/C16H26N4O/c1-13-12-19(11-10-18(13)2)16(21)15-4-3-9-20(15)14-5-7-17-8-6-14/h3-4,9,13-14,17H,5-8,10-12H2,1-2H3
InChIKeyMZVVVPYUOLBCPQ-UHFFFAOYSA-N
XLogP1.19
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The IUPAC name of (3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone (CID 63634555) is (3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone.
What is the SMILES notation for (3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The canonical SMILES for (3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone is CC1CN(C(=O)c2cccn2C2CCNCC2)CCN1C.
What is the InChIKey of (3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The InChIKey is MZVVVPYUOLBCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-12-19(11-10-18(13)2)16(21)15-4-3-9-20(15)14-5-7-17-8-6-14/h3-4,9,13-14,17H,5-8,10-12H2,1-2H3.
What are the key properties of (3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
(3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 63634555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).