N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C21H26N2O4 — CID 51125128

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C21H26N2O4/c1-15-11-16(2)13-19(12-15)27-10-6-22-20(24)17-3-7-23(8-4-17)21(25)18-5-9-26-14-18/h5,9,11-14,17H,3-4,6-8,10H2,1-2H3,(H,22,24)
InChIKeySCTRQLYLRTUOLH-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.94
Rot. Bonds6

About N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 51125128) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID51125128
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C21H26N2O4/c1-15-11-16(2)13-19(12-15)27-10-6-22-20(24)17-3-7-23(8-4-17)21(25)18-5-9-26-14-18/h5,9,11-14,17H,3-4,6-8,10H2,1-2H3,(H,22,24)
InChIKeySCTRQLYLRTUOLH-UHFFFAOYSA-N
XLogP2.94
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.94
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-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
CID 2994102
1-(furan-3-carbonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35676446
1-(furan-3-carbonyl)-N-(3-quinolin-8-yloxypropyl)piperidine-4-carboxamide
CID 56534680
1-(furan-3-carbonyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 35751247
N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide
CID 51092120
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
(3-methylphenyl) 1-(furan-3-carbonyl)piperidine-4-carboxylate
CID 35503747
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
CID 87016342
methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate
CID 35676238
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 51125128) is N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is Cc1cc(C)cc(OCCNC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is SCTRQLYLRTUOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-11-16(2)13-19(12-15)27-10-6-22-20(24)17-3-7-23(8-4-17)21(25)18-5-9-26-14-18/h5,9,11-14,17H,3-4,6-8,10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 51125128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).