1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide

C18H28N4O2 — CID 72857945

IUPAC1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCCCn1ccnc1CNC(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-2-9-21-12-8-19-16(21)13-20-17(23)14-6-10-22(11-7-14)18(24)15-4-3-5-15/h8,12,14-15H,2-7,9-11,13H2,1H3,(H,20,23)
InChIKeyMZDCTOOQBTYCNE-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.95
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 72857945) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID72857945
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCCCn1ccnc1CNC(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-2-9-21-12-8-19-16(21)13-20-17(23)14-6-10-22(11-7-14)18(24)15-4-3-5-15/h8,12,14-15H,2-7,9-11,13H2,1H3,(H,20,23)
InChIKeyMZDCTOOQBTYCNE-UHFFFAOYSA-N
XLogP1.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutanecarbonyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 72851366
cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 91788745
2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
CID 122558206
(3R)-1-(furan-2-ylmethyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 125437302
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide
CID 72889005
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
1-[2-(azepan-1-yl)ethyl]-1-methyl-3-[(1-propylimidazol-2-yl)methyl]urea
CID 122560379
(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 99932022
1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 114164351
1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide
CID 97201978
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 72857945) is 1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide is CCCn1ccnc1CNC(=O)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is MZDCTOOQBTYCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-9-21-12-8-19-16(21)13-20-17(23)14-6-10-22(11-7-14)18(24)15-4-3-5-15/h8,12,14-15H,2-7,9-11,13H2,1H3,(H,20,23).
What are the key properties of 1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72857945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).