N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide

C30H35N3O4 — CID 5170853

IUPACN-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C30H35N3O4/c1-2-3-5-9-23-13-15-25(16-14-23)28(34)31-26(22-24-10-6-4-7-11-24)29(35)32-17-19-33(20-18-32)30(36)27-12-8-21-37-27/h4,6-8,10-16,21,26H,2-3,5,9,17-20,22H2,1H3,(H,31,34)
InChIKeyJZGJRKSBRMMYCT-UHFFFAOYSA-N
MW501.63 g/mol
LogP4.34
Rot. Bonds10

About N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide

N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide (PubChem CID 5170853) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide
PubChem CID5170853
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC NameN-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C30H35N3O4/c1-2-3-5-9-23-13-15-25(16-14-23)28(34)31-26(22-24-10-6-4-7-11-24)29(35)32-17-19-33(20-18-32)30(36)27-12-8-21-37-27/h4,6-8,10-16,21,26H,2-3,5,9,17-20,22H2,1H3,(H,31,34)
InChIKeyJZGJRKSBRMMYCT-UHFFFAOYSA-N
XLogP4.34
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-4-pentylbenzamide
CID 42703090
(2S)-2-[[4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 23764037
N'-(4-hexylbenzoyl)furan-2-carbohydrazide
CID 6733621
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112759974
4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38911698
N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41138290
2-butylsulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 78761813
N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 51858051
N-[1-oxo-3-phenyl-1-(4-phenylpiperidin-1-yl)propan-2-yl]furan-2-carboxamide
CID 55550533
ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 78780464
N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 51858044
N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide
CID 109048336

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide?
The IUPAC name of N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide (CID 5170853) is N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide.
What is the SMILES notation for N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide?
The canonical SMILES for N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide is CCCCCc1ccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide?
The InChIKey is JZGJRKSBRMMYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4/c1-2-3-5-9-23-13-15-25(16-14-23)28(34)31-26(22-24-10-6-4-7-11-24)29(35)32-17-19-33(20-18-32)30(36)27-12-8-21-37-27/h4,6-8,10-16,21,26H,2-3,5,9,17-20,22H2,1H3,(H,31,34).
What are the key properties of N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide?
N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide has a molecular weight of 501.63 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-pentylbenzamide is sourced from PubChem (CID 5170853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).