N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide

C24H32N2O2 — CID 55708491

IUPACN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C24H32N2O2/c1-20-8-5-6-16-26(20)19-22-14-12-21(13-15-22)18-25-24(27)11-7-17-28-23-9-3-2-4-10-23/h2-4,9-10,12-15,20H,5-8,11,16-19H2,1H3,(H,25,27)
InChIKeyUAHQEBFUBDAGHH-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.54
Rot. Bonds9

About N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide

N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide (PubChem CID 55708491) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide
PubChem CID55708491
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C24H32N2O2/c1-20-8-5-6-16-26(20)19-22-14-12-21(13-15-22)18-25-24(27)11-7-17-28-23-9-3-2-4-10-23/h2-4,9-10,12-15,20H,5-8,11,16-19H2,1H3,(H,25,27)
InChIKeyUAHQEBFUBDAGHH-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenoxy)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 47035396
7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845230
6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide
CID 47036113
2-(3-methoxyphenyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961567
3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953020
N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 51948201
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 46476029
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
1-(4-benzyl-3-methylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110657807
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide?
The IUPAC name of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide (CID 55708491) is N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide?
The canonical SMILES for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide is CC1CCCCN1Cc1ccc(CNC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide?
The InChIKey is UAHQEBFUBDAGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-20-8-5-6-16-26(20)19-22-14-12-21(13-15-22)18-25-24(27)11-7-17-28-23-9-3-2-4-10-23/h2-4,9-10,12-15,20H,5-8,11,16-19H2,1H3,(H,25,27).
What are the key properties of N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide?
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide has a molecular weight of 380.53 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide is sourced from PubChem (CID 55708491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).