N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide

C16H28N2O2 — CID 120887599

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCOCC1(CNC(=O)C2C3CCCCC32)CCNCC1
InChIInChI=1S/C16H28N2O2/c1-20-11-16(6-8-17-9-7-16)10-18-15(19)14-12-4-2-3-5-13(12)14/h12-14,17H,2-11H2,1H3,(H,18,19)
InChIKeyWZVMPDARASQJJT-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.55
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 120887599) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID120887599
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCOCC1(CNC(=O)C2C3CCCCC32)CCNCC1
InChIInChI=1S/C16H28N2O2/c1-20-11-16(6-8-17-9-7-16)10-18-15(19)14-12-4-2-3-5-13(12)14/h12-14,17H,2-11H2,1H3,(H,18,19)
InChIKeyWZVMPDARASQJJT-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 114280566
(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99786429
N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120889512
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[1-(methoxymethyl)cyclobutyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
CID 154909189
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120887186
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120891396
1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
CID 120891848
3-(cyclopentanecarbonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 120887829
1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 120888136
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 120889892
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 120887599) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide is COCC1(CNC(=O)C2C3CCCCC32)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is WZVMPDARASQJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-20-11-16(6-8-17-9-7-16)10-18-15(19)14-12-4-2-3-5-13(12)14/h12-14,17H,2-11H2,1H3,(H,18,19).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 120887599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).