1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide

C22H26N4O2 — CID 45177020

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide
SMILESCCn1ccnc1CN1CCC(C(=O)Nc2cccc(-c3ccco3)c2)CC1
InChIInChI=1S/C22H26N4O2/c1-2-26-13-10-23-21(26)16-25-11-8-17(9-12-25)22(27)24-19-6-3-5-18(15-19)20-7-4-14-28-20/h3-7,10,13-15,17H,2,8-9,11-12,16H2,1H3,(H,24,27)
InChIKeyRJJJSLIZNIXEES-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.01
Rot. Bonds6

About 1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide

1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 45177020) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID45177020
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide
SMILESCCn1ccnc1CN1CCC(C(=O)Nc2cccc(-c3ccco3)c2)CC1
InChIInChI=1S/C22H26N4O2/c1-2-26-13-10-23-21(26)16-25-11-8-17(9-12-25)22(27)24-19-6-3-5-18(15-19)20-7-4-14-28-20/h3-7,10,13-15,17H,2,8-9,11-12,16H2,1H3,(H,24,27)
InChIKeyRJJJSLIZNIXEES-UHFFFAOYSA-N
XLogP4.01
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 51104657
N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 26322158
ethyl 1-[3-[[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylate
CID 47056657
N-[3-(3-methoxyphenyl)phenyl]-1-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 25309891
[3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 77089548
1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 167387723
1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 42528190
N-[3-(furan-2-yl)phenyl]-1-(4-oxochromene-2-carbonyl)piperidine-4-carboxamide
CID 42566489
N-[3-(furan-2-yl)phenyl]-1-(morpholine-2-carbonyl)piperidine-4-carboxamide
CID 72882868
1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 24817026
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 29211136
1-[[3-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55858387

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide (CID 45177020) is 1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide is CCn1ccnc1CN1CCC(C(=O)Nc2cccc(-c3ccco3)c2)CC1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is RJJJSLIZNIXEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-26-13-10-23-21(26)16-25-11-8-17(9-12-25)22(27)24-19-6-3-5-18(15-19)20-7-4-14-28-20/h3-7,10,13-15,17H,2,8-9,11-12,16H2,1H3,(H,24,27).
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide?
1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 45177020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).