N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide

C18H26N2O3 — CID 110820896

IUPACN-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-2-6-17(21)19-15-9-12-20(13-10-15)18(22)11-14-23-16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3,(H,19,21)
InChIKeyKBRFRBDCHWKDPM-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.36
Rot. Bonds7

About N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide

N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide (PubChem CID 110820896) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
PubChem CID110820896
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-2-6-17(21)19-15-9-12-20(13-10-15)18(22)11-14-23-16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3,(H,19,21)
InChIKeyKBRFRBDCHWKDPM-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108548392
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2,2-diphenylacetamide
CID 108549605
2-chloroethyl N-[1-(3-phenoxypropanoyl)piperidin-4-yl]carbamate
CID 108565920
1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110820909
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108551978
N-cyclopropyl-2-[4-(3-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 110709703
2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108553005

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide?
The IUPAC name of N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide (CID 110820896) is N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide?
The InChIKey is KBRFRBDCHWKDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-6-17(21)19-15-9-12-20(13-10-15)18(22)11-14-23-16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3,(H,19,21).
What are the key properties of N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide?
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide has a molecular weight of 318.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 110820896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).