(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide

C21H26N2O3 — CID 51162669

IUPAC(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCC(c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C21H26N2O3/c1-25-18-8-5-7-17(15-18)10-11-21(24)22-16-19(20-9-6-14-26-20)23-12-3-2-4-13-23/h5-11,14-15,19H,2-4,12-13,16H2,1H3,(H,22,24)/b11-10+
InChIKeyMNBWAFXLTWMRPL-ZHACJKMWSA-N
MW354.45 g/mol
LogP3.64
Rot. Bonds7

About (E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 51162669) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID51162669
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCC(c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C21H26N2O3/c1-25-18-8-5-7-17(15-18)10-11-21(24)22-16-19(20-9-6-14-26-20)23-12-3-2-4-13-23/h5-11,14-15,19H,2-4,12-13,16H2,1H3,(H,22,24)/b11-10+
InChIKeyMNBWAFXLTWMRPL-ZHACJKMWSA-N
XLogP3.64
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7972754
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
(E)-3-(5-bromo-2-methoxyphenyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide
CID 37226287
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide
CID 51336080
(2S)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18161398
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 51162670
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 42889429
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9399035
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide
CID 2468270
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110312903
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77055664

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide (CID 51162669) is (E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)NCC(c2ccco2)N2CCCCC2)c1.
What is the InChIKey of (E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is MNBWAFXLTWMRPL-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-18-8-5-7-17(15-18)10-11-21(24)22-16-19(20-9-6-14-26-20)23-12-3-2-4-13-23/h5-11,14-15,19H,2-4,12-13,16H2,1H3,(H,22,24)/b11-10+.
What are the key properties of (E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 354.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 51162669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).