N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide

C16H25N3O — CID 128768007

IUPACN-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide
SMILESN#CC1(CNC(=O)C2CN(C3CCCCC3)C2)CCC1
InChIInChI=1S/C16H25N3O/c17-11-16(7-4-8-16)12-18-15(20)13-9-19(10-13)14-5-2-1-3-6-14/h13-14H,1-10,12H2,(H,18,20)
InChIKeyVBALJJUDMAHHNQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.06
Rot. Bonds4

About N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide

N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide (PubChem CID 128768007) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide
PubChem CID128768007
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide
SMILESN#CC1(CNC(=O)C2CN(C3CCCCC3)C2)CCC1
InChIInChI=1S/C16H25N3O/c17-11-16(7-4-8-16)12-18-15(20)13-9-19(10-13)14-5-2-1-3-6-14/h13-14H,1-10,12H2,(H,18,20)
InChIKeyVBALJJUDMAHHNQ-UHFFFAOYSA-N
XLogP2.06
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195493
(1S,6S)-N-[2-[(1-cyanocyclopropyl)methylamino]-2-oxoethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99777896
(1R,6R)-N-[2-[(1-cyanocyclopropyl)methylamino]-2-oxoethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99777894
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
(3S)-1-cycloheptyl-6-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]piperidine-3-carboxamide
CID 42355782
N-[(1-cyanocyclopropyl)methyl]-2-hydroxyacetamide
CID 130683210
N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide
CID 10198366
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide?
The IUPAC name of N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide (CID 128768007) is N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide.
What is the SMILES notation for N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide?
The canonical SMILES for N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide is N#CC1(CNC(=O)C2CN(C3CCCCC3)C2)CCC1.
What is the InChIKey of N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide?
The InChIKey is VBALJJUDMAHHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-11-16(7-4-8-16)12-18-15(20)13-9-19(10-13)14-5-2-1-3-6-14/h13-14H,1-10,12H2,(H,18,20).
What are the key properties of N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide?
N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyanocyclobutyl)methyl]-1-cyclohexylazetidine-3-carboxamide is sourced from PubChem (CID 128768007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).