1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide

C19H30N4O2 — CID 72913891

IUPAC1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nccn1CCN(C)C(=O)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H30N4O2/c1-15-20-9-12-22(15)14-13-21(2)18(24)17-7-10-23(11-8-17)19(25)16-5-3-4-6-16/h9,12,16-17H,3-8,10-11,13-14H2,1-2H3
InChIKeyZYRKKZDLODMRFW-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.08
Rot. Bonds5

About 1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 72913891) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID72913891
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nccn1CCN(C)C(=O)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H30N4O2/c1-15-20-9-12-22(15)14-13-21(2)18(24)17-7-10-23(11-8-17)19(25)16-5-3-4-6-16/h9,12,16-17H,3-8,10-11,13-14H2,1-2H3
InChIKeyZYRKKZDLODMRFW-UHFFFAOYSA-N
XLogP2.08
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide (CID 72913891) is 1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide is Cc1nccn1CCN(C)C(=O)C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is ZYRKKZDLODMRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-20-9-12-22(15)14-13-21(2)18(24)17-7-10-23(11-8-17)19(25)16-5-3-4-6-16/h9,12,16-17H,3-8,10-11,13-14H2,1-2H3.
What are the key properties of 1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 72913891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).