4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide

C22H27N3O3 — CID 51324376

IUPAC4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
SMILESO=C(CCCOc1ccccc1)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c26-21(12-7-17-28-20-10-5-2-6-11-20)23-19-13-15-25(16-14-19)22(27)24-18-8-3-1-4-9-18/h1-6,8-11,19H,7,12-17H2,(H,23,26)(H,24,27)
InChIKeyRSWFSEQILMSZBS-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.66
Rot. Bonds7

About 4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide

4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide (PubChem CID 51324376) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
PubChem CID51324376
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
SMILESO=C(CCCOc1ccccc1)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c26-21(12-7-17-28-20-10-5-2-6-11-20)23-19-13-15-25(16-14-19)22(27)24-18-8-3-1-4-9-18/h1-6,8-11,19H,7,12-17H2,(H,23,26)(H,24,27)
InChIKeyRSWFSEQILMSZBS-UHFFFAOYSA-N
XLogP3.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
CID 119700221
4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 127145242
N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
CID 55501742
prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
CID 108561202
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
4-phenoxy-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561185
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
4-phenoxy-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553607
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide (CID 51324376) is 4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide is O=C(CCCOc1ccccc1)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide?
The InChIKey is RSWFSEQILMSZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21(12-7-17-28-20-10-5-2-6-11-20)23-19-13-15-25(16-14-19)22(27)24-18-8-3-1-4-9-18/h1-6,8-11,19H,7,12-17H2,(H,23,26)(H,24,27).
What are the key properties of 4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide?
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 51324376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).