1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide

C15H25N3O — CID 80502317

IUPAC1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide
SMILESCCCN1CCC(NC(=O)C2(C#N)CC(C)C2)CC1
InChIInChI=1S/C15H25N3O/c1-3-6-18-7-4-13(5-8-18)17-14(19)15(11-16)9-12(2)10-15/h12-13H,3-10H2,1-2H3,(H,17,19)
InChIKeyKVNYHVMGDHMODI-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.92
Rot. Bonds4

About 1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide

1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide (PubChem CID 80502317) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide
PubChem CID80502317
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide
SMILESCCCN1CCC(NC(=O)C2(C#N)CC(C)C2)CC1
InChIInChI=1S/C15H25N3O/c1-3-6-18-7-4-13(5-8-18)17-14(19)15(11-16)9-12(2)10-15/h12-13H,3-10H2,1-2H3,(H,17,19)
InChIKeyKVNYHVMGDHMODI-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61476262
1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide
CID 80501435
1-cyano-N-(1-ethylpiperidin-3-yl)-3-methylcyclobutane-1-carboxamide
CID 80501614
1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095589
1-cyano-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 78994982
1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80502375
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide
CID 80598099
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 17376897
methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate
CID 80501003

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide (CID 80502317) is 1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide is CCCN1CCC(NC(=O)C2(C#N)CC(C)C2)CC1.
What is the InChIKey of 1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide?
The InChIKey is KVNYHVMGDHMODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-6-18-7-4-13(5-8-18)17-14(19)15(11-16)9-12(2)10-15/h12-13H,3-10H2,1-2H3,(H,17,19).
What are the key properties of 1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80502317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).