(E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide

C20H22N2O3 — CID 95284463

IUPAC(E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)o1
InChIInChI=1S/C20H22N2O3/c1-15-9-10-18(25-15)11-12-19(23)21-17-8-5-13-22(14-17)20(24)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3,(H,21,23)/b12-11+/t17-/m0/s1
InChIKeyLQHUXGRZMOQXJQ-FLVLSHQESA-N
MW338.41 g/mol
LogP3.02
Rot. Bonds4

About (E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 95284463) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID95284463
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)o1
InChIInChI=1S/C20H22N2O3/c1-15-9-10-18(25-15)11-12-19(23)21-17-8-5-13-22(14-17)20(24)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3,(H,21,23)/b12-11+/t17-/m0/s1
InChIKeyLQHUXGRZMOQXJQ-FLVLSHQESA-N
XLogP3.02
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400
(E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 115880719
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide
CID 125166283
N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276174
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(E)-1-(azepan-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 874177
N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 95906190

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 95284463) is (E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)o1.
What is the InChIKey of (E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is LQHUXGRZMOQXJQ-FLVLSHQESA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-9-10-18(25-15)11-12-19(23)21-17-8-5-13-22(14-17)20(24)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3,(H,21,23)/b12-11+/t17-/m0/s1.
What are the key properties of (E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 95284463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).