(3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

C18H24N4O3 — CID 97212513

IUPAC(3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCCOc1cc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)ccc1OC
InChIInChI=1S/C18H24N4O3/c1-3-25-16-11-14(6-7-15(16)24-2)21-18(23)22-10-4-5-13(12-22)17-19-8-9-20-17/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,20)(H,21,23)/t13-/m0/s1
InChIKeyUFLWPUSGLHAEJN-ZDUSSCGKSA-N
MW344.42 g/mol
LogP3.23
Rot. Bonds5

About (3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

(3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 97212513) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID97212513
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCCOc1cc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)ccc1OC
InChIInChI=1S/C18H24N4O3/c1-3-25-16-11-14(6-7-15(16)24-2)21-18(23)22-10-4-5-13(12-22)17-19-8-9-20-17/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,20)(H,21,23)/t13-/m0/s1
InChIKeyUFLWPUSGLHAEJN-ZDUSSCGKSA-N
XLogP3.23
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97318687
3-(1H-imidazol-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-1-carboxamide
CID 75422963
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 146123480
3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide
CID 136553406
methyl 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]acetate
CID 97319118
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide
CID 97270143
1-[(3-ethoxy-4-methoxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122076607
N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 56822388
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595316
(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595317

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 97212513) is (3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is CCOc1cc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)ccc1OC.
What is the InChIKey of (3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is UFLWPUSGLHAEJN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-25-16-11-14(6-7-15(16)24-2)21-18(23)22-10-4-5-13(12-22)17-19-8-9-20-17/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,20)(H,21,23)/t13-/m0/s1.
What are the key properties of (3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
(3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97212513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).