N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide

C25H32N2O4 — CID 45198010

IUPACN-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CCC2CCCN(C(=O)CCOc3ccccc3)C2)c1
InChIInChI=1S/C25H32N2O4/c1-30-23-11-5-7-21(17-23)18-26-24(28)13-12-20-8-6-15-27(19-20)25(29)14-16-31-22-9-3-2-4-10-22/h2-5,7,9-11,17,20H,6,8,12-16,18-19H2,1H3,(H,26,28)
InChIKeyQMBQBAQCWZXENB-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.80
Rot. Bonds10

About N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide

N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide (PubChem CID 45198010) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide
PubChem CID45198010
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CCC2CCCN(C(=O)CCOc3ccccc3)C2)c1
InChIInChI=1S/C25H32N2O4/c1-30-23-11-5-7-21(17-23)18-26-24(28)13-12-20-8-6-15-27(19-20)25(29)14-16-31-22-9-3-2-4-10-22/h2-5,7,9-11,17,20H,6,8,12-16,18-19H2,1H3,(H,26,28)
InChIKeyQMBQBAQCWZXENB-UHFFFAOYSA-N
XLogP3.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide
CID 42566889
N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45218064
ethyl 2-[[3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]acetate
CID 45180239
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]propanamide
CID 26330387
N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide
CID 97282425
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 42515547
N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide
CID 72935785
3-[(3S)-1-(3-phenoxypropanoyl)piperidin-3-yl]propanoic acid
CID 124700081
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide
CID 97276292
3-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124688981
3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 26412386
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide (CID 45198010) is N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide is COc1cccc(CNC(=O)CCC2CCCN(C(=O)CCOc3ccccc3)C2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide?
The InChIKey is QMBQBAQCWZXENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-30-23-11-5-7-21(17-23)18-26-24(28)13-12-20-8-6-15-27(19-20)25(29)14-16-31-22-9-3-2-4-10-22/h2-5,7,9-11,17,20H,6,8,12-16,18-19H2,1H3,(H,26,28).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide?
N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide has a molecular weight of 424.54 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45198010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).