N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide

C20H24N2O3 — CID 51102722

IUPACN-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
SMILESCCC(C(=O)N1CCC(NC(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-2-17(15-7-4-3-5-8-15)20(24)22-12-10-16(11-13-22)21-19(23)18-9-6-14-25-18/h3-9,14,16-17H,2,10-13H2,1H3,(H,21,23)
InChIKeyDVCWCCCTMIBFRK-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.19
Rot. Bonds5

About N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide

N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 51102722) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID51102722
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
SMILESCCC(C(=O)N1CCC(NC(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-2-17(15-7-4-3-5-8-15)20(24)22-12-10-16(11-13-22)21-19(23)18-9-6-14-25-18/h3-9,14,16-17H,2,10-13H2,1H3,(H,21,23)
InChIKeyDVCWCCCTMIBFRK-UHFFFAOYSA-N
XLogP3.19
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124628014
benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 110821844
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 95906118
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119311950
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 110820463
N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide
CID 42891707
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 120791093
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550032

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide (CID 51102722) is N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide is CCC(C(=O)N1CCC(NC(=O)c2ccco2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is DVCWCCCTMIBFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-17(15-7-4-3-5-8-15)20(24)22-12-10-16(11-13-22)21-19(23)18-9-6-14-25-18/h3-9,14,16-17H,2,10-13H2,1H3,(H,21,23).
What are the key properties of N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide?
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 51102722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).