(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

C18H26N4O3 — CID 95967272

IUPAC(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCCc1ccc([C@H](COC)NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)o1
InChIInChI=1S/C18H26N4O3/c1-3-14-6-7-16(25-14)15(12-24-2)21-18(23)22-10-4-5-13(11-22)17-19-8-9-20-17/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,19,20)(H,21,23)/t13-,15-/m0/s1
InChIKeyKBIXETWWBAMAES-ZFWWWQNUSA-N
MW346.43 g/mol
LogP2.84
Rot. Bonds6

About (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 95967272) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID95967272
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCCc1ccc([C@H](COC)NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)o1
InChIInChI=1S/C18H26N4O3/c1-3-14-6-7-16(25-14)15(12-24-2)21-18(23)22-10-4-5-13(11-22)17-19-8-9-20-17/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,19,20)(H,21,23)/t13-,15-/m0/s1
InChIKeyKBIXETWWBAMAES-ZFWWWQNUSA-N
XLogP2.84
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122003589
(2R)-2-(1H-imidazol-2-yl)-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 124608585
N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996552
N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996551
(3S)-N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124608574
(3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide
CID 95968956
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide
CID 166188808
methyl 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]acetate
CID 97319118
(3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97212513
(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
CID 95968600
N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 136513087

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 95967272) is (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is CCc1ccc([C@H](COC)NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)o1.
What is the InChIKey of (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is KBIXETWWBAMAES-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-14-6-7-16(25-14)15(12-24-2)21-18(23)22-10-4-5-13(11-22)17-19-8-9-20-17/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,19,20)(H,21,23)/t13-,15-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95967272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).