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

C12H18N2O — CID 59304505

IUPAC(3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone
SMILESCC1CCCN(C(=O)c2ccn(C)c2)C1
InChIInChI=1S/C12H18N2O/c1-10-4-3-6-14(8-10)12(15)11-5-7-13(2)9-11/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeySIIWDVGSAQWISY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.90
Rot. Bonds1

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

(3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone (PubChem CID 59304505) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone
PubChem CID59304505
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone
SMILESCC1CCCN(C(=O)c2ccn(C)c2)C1
InChIInChI=1S/C12H18N2O/c1-10-4-3-6-14(8-10)12(15)11-5-7-13(2)9-11/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeySIIWDVGSAQWISY-UHFFFAOYSA-N
XLogP1.90
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141055115
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CID 145848262
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CID 154245523
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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone (CID 59304505) is (3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone is CC1CCCN(C(=O)c2ccn(C)c2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone?
The InChIKey is SIIWDVGSAQWISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-4-3-6-14(8-10)12(15)11-5-7-13(2)9-11/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone?
(3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone has a molecular weight of 206.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 59304505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).