4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide

C23H29N3O3 — CID 127145242

IUPAC4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
SMILESCCCCC(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-2-3-9-22(27)24-19-14-16-26(17-15-19)23(28)25-18-10-12-21(13-11-18)29-20-7-5-4-6-8-20/h4-8,10-13,19H,2-3,9,14-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyHMYCTQXXXSXMCW-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.78
Rot. Bonds7

About 4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide

4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide (PubChem CID 127145242) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
PubChem CID127145242
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
SMILESCCCCC(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-2-3-9-22(27)24-19-14-16-26(17-15-19)23(28)25-18-10-12-21(13-11-18)29-20-7-5-4-6-8-20/h4-8,10-13,19H,2-3,9,14-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyHMYCTQXXXSXMCW-UHFFFAOYSA-N
XLogP4.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 127145276
N-(2-ethylphenyl)-4-(pentanoylamino)piperidine-1-carboxamide
CID 127145216
N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
CID 55501742
4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
CID 119700221
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 72841938
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
N-[1-(2-methylbenzoyl)piperidin-4-yl]pentanamide
CID 110820234
1-(1-benzoylpiperidin-4-yl)-3-(4-phenoxyphenyl)thiourea
CID 92519825
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 110822925

Frequently Asked Questions

What is the IUPAC name of 4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide (CID 127145242) is 4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide is CCCCC(=O)NC1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The InChIKey is HMYCTQXXXSXMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-3-9-22(27)24-19-14-16-26(17-15-19)23(28)25-18-10-12-21(13-11-18)29-20-7-5-4-6-8-20/h4-8,10-13,19H,2-3,9,14-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 127145242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).