N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide

C22H28N2O2 — CID 108737782

IUPACN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
SMILESCC1CCN(Cc2ccc(NC(=O)CCOc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-18-11-14-24(15-12-18)17-19-7-9-20(10-8-19)23-22(25)13-16-26-21-5-3-2-4-6-21/h2-10,18H,11-17H2,1H3,(H,23,25)
InChIKeyCRTPTXNWEUGKLW-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.33
Rot. Bonds7

About N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide

N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide (PubChem CID 108737782) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
PubChem CID108737782
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
SMILESCC1CCN(Cc2ccc(NC(=O)CCOc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-18-11-14-24(15-12-18)17-19-7-9-20(10-8-19)23-22(25)13-16-26-21-5-3-2-4-6-21/h2-10,18H,11-17H2,1H3,(H,23,25)
InChIKeyCRTPTXNWEUGKLW-UHFFFAOYSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 108811059
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739321
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55734289
4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 120595204
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
CID 24817380
(E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide
CID 108760697
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 55778329
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide?
The IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide (CID 108737782) is N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide?
The canonical SMILES for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide is CC1CCN(Cc2ccc(NC(=O)CCOc3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide?
The InChIKey is CRTPTXNWEUGKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18-11-14-24(15-12-18)17-19-7-9-20(10-8-19)23-22(25)13-16-26-21-5-3-2-4-6-21/h2-10,18H,11-17H2,1H3,(H,23,25).
What are the key properties of N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide?
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide has a molecular weight of 352.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide is sourced from PubChem (CID 108737782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).