N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C25H29N3O4 — CID 55885887

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)c1)C1CC1
InChIInChI=1S/C25H29N3O4/c29-23(13-16-32-22-7-2-1-3-8-22)28-14-11-19(12-15-28)25(31)27-21-6-4-5-20(17-21)26-24(30)18-9-10-18/h1-8,17-19H,9-16H2,(H,26,30)(H,27,31)
InChIKeyLPQWAZZXPPQCJI-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.68
Rot. Bonds8

About N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55885887) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55885887
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)c1)C1CC1
InChIInChI=1S/C25H29N3O4/c29-23(13-16-32-22-7-2-1-3-8-22)28-14-11-19(12-15-28)25(31)27-21-6-4-5-20(17-21)26-24(30)18-9-10-18/h1-8,17-19H,9-16H2,(H,26,30)(H,27,31)
InChIKeyLPQWAZZXPPQCJI-UHFFFAOYSA-N
XLogP3.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopentyloxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885368
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55886034
N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55882738
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 55884295
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55857604
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55885887) is N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is O=C(Nc1cccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)c1)C1CC1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is LPQWAZZXPPQCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c29-23(13-16-32-22-7-2-1-3-8-22)28-14-11-19(12-15-28)25(31)27-21-6-4-5-20(17-21)26-24(30)18-9-10-18/h1-8,17-19H,9-16H2,(H,26,30)(H,27,31).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55885887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).