N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide

C21H24N2O4 — CID 45222892

IUPACN-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(/C=C/C(=O)N2CCCC(CNC(=O)c3ccco3)C2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-18-9-6-16(7-10-18)8-11-20(24)23-12-2-4-17(15-23)14-22-21(25)19-5-3-13-27-19/h3,5-11,13,17H,2,4,12,14-15H2,1H3,(H,22,25)/b11-8+
InChIKeyQKUPVJDZHAYXKH-DHZHZOJOSA-N
MW368.43 g/mol
LogP2.97
Rot. Bonds6

About N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide

N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 45222892) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID45222892
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(/C=C/C(=O)N2CCCC(CNC(=O)c3ccco3)C2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-18-9-6-16(7-10-18)8-11-20(24)23-12-2-4-17(15-23)14-22-21(25)19-5-3-13-27-19/h3,5-11,13,17H,2,4,12,14-15H2,1H3,(H,22,25)/b11-8+
InChIKeyQKUPVJDZHAYXKH-DHZHZOJOSA-N
XLogP2.97
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.97
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

N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 110640542
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 898049
N-cyclopropyl-3-[(3R)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]propanamide
CID 42119464
N-cyclopropyl-3-[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]propanamide
CID 42119469
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 24705129
N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 72882861
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630
(E)-3-(4-methoxyphenyl)-1-[(3S)-3-[[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one
CID 92763270
1-(4-benzylpiperidin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 887161
N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97282973
methyl 4-[(E)-3-oxo-3-[3-(phenoxymethyl)piperidin-1-yl]prop-1-enyl]benzoate
CID 86971190
methyl 2-[1-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]piperidin-3-yl]acetate
CID 75396811

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide (CID 45222892) is N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide is COc1ccc(/C=C/C(=O)N2CCCC(CNC(=O)c3ccco3)C2)cc1.
What is the InChIKey of N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is QKUPVJDZHAYXKH-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-18-9-6-16(7-10-18)8-11-20(24)23-12-2-4-17(15-23)14-22-21(25)19-5-3-13-27-19/h3,5-11,13,17H,2,4,12,14-15H2,1H3,(H,22,25)/b11-8+.
What are the key properties of N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide?
N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 45222892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).