(1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone

C12H18N2O — CID 22905594

IUPAC(1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone
SMILESCN1CCC(C(=O)c2ccn(C)c2)CC1
InChIInChI=1S/C12H18N2O/c1-13-6-3-10(4-7-13)12(15)11-5-8-14(2)9-11/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyQSUDEPPLXHJJNN-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.55
Rot. Bonds2

About (1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone

(1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone (PubChem CID 22905594) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone
PubChem CID22905594
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone
SMILESCN1CCC(C(=O)c2ccn(C)c2)CC1
InChIInChI=1S/C12H18N2O/c1-13-6-3-10(4-7-13)12(15)11-5-8-14(2)9-11/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyQSUDEPPLXHJJNN-UHFFFAOYSA-N
XLogP1.55
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of (1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone (CID 22905594) is (1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone is CN1CCC(C(=O)c2ccn(C)c2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone?
The InChIKey is QSUDEPPLXHJJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13-6-3-10(4-7-13)12(15)11-5-8-14(2)9-11/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone?
(1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone has a molecular weight of 206.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 22905594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).