[4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone

C20H28N2O2 — CID 615598

IUPAC[4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(C(=O)N2CCCCC2C)cc1
InChIInChI=1S/C20H28N2O2/c1-15-7-3-5-13-21(15)19(23)17-9-11-18(12-10-17)20(24)22-14-6-4-8-16(22)2/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyFFRPXIHFEUDATH-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.72
Rot. Bonds2

About [4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone

[4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 615598) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID615598
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(C(=O)N2CCCCC2C)cc1
InChIInChI=1S/C20H28N2O2/c1-15-7-3-5-13-21(15)19(23)17-9-11-18(12-10-17)20(24)22-14-6-4-8-16(22)2/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyFFRPXIHFEUDATH-UHFFFAOYSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone (CID 615598) is [4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(C(=O)N2CCCCC2C)cc1.
What is the InChIKey of [4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is FFRPXIHFEUDATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-7-3-5-13-21(15)19(23)17-9-11-18(12-10-17)20(24)22-14-6-4-8-16(22)2/h9-12,15-16H,3-8,13-14H2,1-2H3.
What are the key properties of [4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone?
[4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 328.46 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpiperidine-1-carbonyl)phenyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 615598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).