N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide

C22H28N2O2 — CID 120891654

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
SMILESCOCC1(CNC(=O)C2CC2c2cccc3ccccc23)CCNCC1
InChIInChI=1S/C22H28N2O2/c1-26-15-22(9-11-23-12-10-22)14-24-21(25)20-13-19(20)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,19-20,23H,9-15H2,1H3,(H,24,25)
InChIKeyNIQCJDQFRBSJNH-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.08
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide (PubChem CID 120891654) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
PubChem CID120891654
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
SMILESCOCC1(CNC(=O)C2CC2c2cccc3ccccc23)CCNCC1
InChIInChI=1S/C22H28N2O2/c1-26-15-22(9-11-23-12-10-22)14-24-21(25)20-13-19(20)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,19-20,23H,9-15H2,1H3,(H,24,25)
InChIKeyNIQCJDQFRBSJNH-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 120889999
2-[(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119350067
3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride
CID 120891725
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide
CID 120888204
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120890173
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120889634
2-naphthalen-1-yl-N-[3-oxo-3-(propan-2-ylamino)propyl]cyclopropane-1-carboxamide
CID 71932261
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 120890968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide (CID 120891654) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide is COCC1(CNC(=O)C2CC2c2cccc3ccccc23)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide?
The InChIKey is NIQCJDQFRBSJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-15-22(9-11-23-12-10-22)14-24-21(25)20-13-19(20)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,19-20,23H,9-15H2,1H3,(H,24,25).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.08, 6 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]-2-naphthalen-1-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 120891654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).