1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide

C19H30N4O2 — CID 72924602

IUPAC1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C19H30N4O2/c1-21-14-10-20-17(21)7-4-11-22(2)18(24)16-8-12-23(13-9-16)19(25)15-5-3-6-15/h10,14-16H,3-9,11-13H2,1-2H3
InChIKeyDRFKBWADCZLMNJ-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.85
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide (PubChem CID 72924602) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide
PubChem CID72924602
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C19H30N4O2/c1-21-14-10-20-17(21)7-4-11-22(2)18(24)16-8-12-23(13-9-16)19(25)15-5-3-6-15/h10,14-16H,3-9,11-13H2,1-2H3
InChIKeyDRFKBWADCZLMNJ-UHFFFAOYSA-N
XLogP1.85
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide (CID 72924602) is 1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide is CN(CCCc1nccn1C)C(=O)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
The InChIKey is DRFKBWADCZLMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21-14-10-20-17(21)7-4-11-22(2)18(24)16-8-12-23(13-9-16)19(25)15-5-3-6-15/h10,14-16H,3-9,11-13H2,1-2H3.
What are the key properties of 1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 72924602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).