N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide

C18H28N2O2 — CID 120887701

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1(COC)CCNCC1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-3-16(15-7-5-4-6-8-15)17(21)20-13-18(14-22-2)9-11-19-12-10-18/h4-8,16,19H,3,9-14H2,1-2H3,(H,20,21)
InChIKeyGPFGEVDSBATAOR-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.31
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide (PubChem CID 120887701) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
PubChem CID120887701
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1(COC)CCNCC1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-3-16(15-7-5-4-6-8-15)17(21)20-13-18(14-22-2)9-11-19-12-10-18/h4-8,16,19H,3,9-14H2,1-2H3,(H,20,21)
InChIKeyGPFGEVDSBATAOR-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide 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-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 120889270
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylbutanamide
CID 114757941
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
CID 103970144
2-(2-benzylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891722
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide
CID 120888204
2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 120888865
N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
CID 119404563
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
2-(1-benzofuran-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890363

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide (CID 120887701) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide is CCC(C(=O)NCC1(COC)CCNCC1)c1ccccc1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide?
The InChIKey is GPFGEVDSBATAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-16(15-7-5-4-6-8-15)17(21)20-13-18(14-22-2)9-11-19-12-10-18/h4-8,16,19H,3,9-14H2,1-2H3,(H,20,21).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide has a molecular weight of 304.43 g/mol, XLogP of 2.31, 7 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-phenylbutanamide is sourced from PubChem (CID 120887701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).