N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide

C18H26N4O3 — CID 96996551

IUPACN-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
SMILESCCc1ccc([C@@H](COC)NC(=O)N2CCC(n3ccnc3)CC2)o1
InChIInChI=1S/C18H26N4O3/c1-3-15-4-5-17(25-15)16(12-24-2)20-18(23)21-9-6-14(7-10-21)22-11-8-19-13-22/h4-5,8,11,13-14,16H,3,6-7,9-10,12H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyHKHUBZDAFPDPKI-MRXNPFEDSA-N
MW346.43 g/mol
LogP2.77
Rot. Bonds6

About N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide

N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide (PubChem CID 96996551) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
PubChem CID96996551
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
SMILESCCc1ccc([C@@H](COC)NC(=O)N2CCC(n3ccnc3)CC2)o1
InChIInChI=1S/C18H26N4O3/c1-3-15-4-5-17(25-15)16(12-24-2)20-18(23)21-9-6-14(7-10-21)22-11-8-19-13-22/h4-5,8,11,13-14,16H,3,6-7,9-10,12H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyHKHUBZDAFPDPKI-MRXNPFEDSA-N
XLogP2.77
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996552
1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122003589
(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 95967272
N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide
CID 154743974
(2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide
CID 120637446
N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96999492
4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
CID 97021838
(3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124608574
1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111507646
4-imidazol-1-yl-N-[(1S,2S)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999533
4-imidazol-1-yl-N-[(1R,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999534
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
CID 126429651

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide (CID 96996551) is N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide is CCc1ccc([C@@H](COC)NC(=O)N2CCC(n3ccnc3)CC2)o1.
What is the InChIKey of N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide?
The InChIKey is HKHUBZDAFPDPKI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-15-4-5-17(25-15)16(12-24-2)20-18(23)21-9-6-14(7-10-21)22-11-8-19-13-22/h4-5,8,11,13-14,16H,3,6-7,9-10,12H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide?
N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 96996551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).