1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide

C28H31N3O3 — CID 60520535

IUPAC1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C28H31N3O3/c1-20(34-26-12-10-23(11-13-26)22-7-3-2-4-8-22)28(33)30-25-9-5-6-21(18-25)19-31-16-14-24(15-17-31)27(29)32/h2-13,18,20,24H,14-17,19H2,1H3,(H2,29,32)(H,30,33)
InChIKeyGTPYPBSROLFQNA-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.46
Rot. Bonds8

About 1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 60520535) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID60520535
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C28H31N3O3/c1-20(34-26-12-10-23(11-13-26)22-7-3-2-4-8-22)28(33)30-25-9-5-6-21(18-25)19-31-16-14-24(15-17-31)27(29)32/h2-13,18,20,24H,14-17,19H2,1H3,(H2,29,32)(H,30,33)
InChIKeyGTPYPBSROLFQNA-UHFFFAOYSA-N
XLogP4.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853105
(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 124828194
1-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853121
2-(2-methoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131930532
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
1-[[3-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 56504793
1-[[3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55986549
1-[[3-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768192
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 46600220
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide (CID 60520535) is 1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is GTPYPBSROLFQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-20(34-26-12-10-23(11-13-26)22-7-3-2-4-8-22)28(33)30-25-9-5-6-21(18-25)19-31-16-14-24(15-17-31)27(29)32/h2-13,18,20,24H,14-17,19H2,1H3,(H2,29,32)(H,30,33).
What are the key properties of 1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 60520535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).