N-(azetidin-1-ylmethyl)cycloheptanecarboxamide

C12H22N2O — CID 134274254

IUPACN-(azetidin-1-ylmethyl)cycloheptanecarboxamide
SMILESO=C(NCN1CCC1)C1CCCCCC1
InChIInChI=1S/C12H22N2O/c15-12(13-10-14-8-5-9-14)11-6-3-1-2-4-7-11/h11H,1-10H2,(H,13,15)
InChIKeyRIPVAPXYPVEDMU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.74
Rot. Bonds3

About N-(azetidin-1-ylmethyl)cycloheptanecarboxamide

N-(azetidin-1-ylmethyl)cycloheptanecarboxamide (PubChem CID 134274254) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(azetidin-1-ylmethyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(azetidin-1-ylmethyl)cycloheptanecarboxamide
PubChem CID134274254
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(azetidin-1-ylmethyl)cycloheptanecarboxamide
SMILESO=C(NCN1CCC1)C1CCCCCC1
InChIInChI=1S/C12H22N2O/c15-12(13-10-14-8-5-9-14)11-6-3-1-2-4-7-11/h11H,1-10H2,(H,13,15)
InChIKeyRIPVAPXYPVEDMU-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(azetidin-1-ylmethyl)cycloheptanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide
CID 71792542
4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide
CID 169021452
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 131897706
N-prop-2-ynylcyclooctanecarboxamide
CID 65020760
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
N-propylcyclooctanecarboxamide
CID 65022755
N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide
CID 110345998
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-piperidin-1-ylcyclohexanecarboxamide
CID 17164620

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-1-ylmethyl)cycloheptanecarboxamide?
The IUPAC name of N-(azetidin-1-ylmethyl)cycloheptanecarboxamide (CID 134274254) is N-(azetidin-1-ylmethyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(azetidin-1-ylmethyl)cycloheptanecarboxamide?
The canonical SMILES for N-(azetidin-1-ylmethyl)cycloheptanecarboxamide is O=C(NCN1CCC1)C1CCCCCC1.
What is the InChIKey of N-(azetidin-1-ylmethyl)cycloheptanecarboxamide?
The InChIKey is RIPVAPXYPVEDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12(13-10-14-8-5-9-14)11-6-3-1-2-4-7-11/h11H,1-10H2,(H,13,15).
What are the key properties of N-(azetidin-1-ylmethyl)cycloheptanecarboxamide?
N-(azetidin-1-ylmethyl)cycloheptanecarboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-1-ylmethyl)cycloheptanecarboxamide is sourced from PubChem (CID 134274254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).