4-(cyclobutylmethyl)azepane-4-carboxamide

C12H22N2O — CID 84677931

IUPAC4-(cyclobutylmethyl)azepane-4-carboxamide
SMILESNC(=O)C1(CC2CCC2)CCCNCC1
InChIInChI=1S/C12H22N2O/c13-11(15)12(9-10-3-1-4-10)5-2-7-14-8-6-12/h10,14H,1-9H2,(H2,13,15)
InChIKeyHEHKMGZKHUTBKF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.42
Rot. Bonds3

About 4-(cyclobutylmethyl)azepane-4-carboxamide

4-(cyclobutylmethyl)azepane-4-carboxamide (PubChem CID 84677931) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)azepane-4-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)azepane-4-carboxamide
PubChem CID84677931
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-(cyclobutylmethyl)azepane-4-carboxamide
SMILESNC(=O)C1(CC2CCC2)CCCNCC1
InChIInChI=1S/C12H22N2O/c13-11(15)12(9-10-3-1-4-10)5-2-7-14-8-6-12/h10,14H,1-9H2,(H2,13,15)
InChIKeyHEHKMGZKHUTBKF-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(cyclopentylmethyl)piperidin-4-yl]methanol
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N-[4-(cyclohexylmethyl)piperidin-4-yl]acetamide
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2-(cyclopropylmethyl)piperidine-2-carboxamide
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3-(aminomethyl)piperidine-3-carboxylic acid
CID 130939829
N-tert-butyl-4-(cyclopropylmethyl)piperidine-4-carboxamide;1-(cyclopropylmethyl)-1-methylcyclohexane
CID 158713327
3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one
CID 114193556
4-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 97357080
2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570525
1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide
CID 71277092

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)azepane-4-carboxamide?
The IUPAC name of 4-(cyclobutylmethyl)azepane-4-carboxamide (CID 84677931) is 4-(cyclobutylmethyl)azepane-4-carboxamide.
What is the SMILES notation for 4-(cyclobutylmethyl)azepane-4-carboxamide?
The canonical SMILES for 4-(cyclobutylmethyl)azepane-4-carboxamide is NC(=O)C1(CC2CCC2)CCCNCC1.
What is the InChIKey of 4-(cyclobutylmethyl)azepane-4-carboxamide?
The InChIKey is HEHKMGZKHUTBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-11(15)12(9-10-3-1-4-10)5-2-7-14-8-6-12/h10,14H,1-9H2,(H2,13,15).
What are the key properties of 4-(cyclobutylmethyl)azepane-4-carboxamide?
4-(cyclobutylmethyl)azepane-4-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)azepane-4-carboxamide is sourced from PubChem (CID 84677931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).