N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

C23H28N4O4 — CID 103599646

IUPACN-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCN(C)C(=O)CN1CCC(NC(=O)C(=Cc2ccco2)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O4/c1-26(2)21(28)16-27-12-10-18(11-13-27)24-23(30)20(15-19-9-6-14-31-19)25-22(29)17-7-4-3-5-8-17/h3-9,14-15,18H,10-13,16H2,1-2H3,(H,24,30)(H,25,29)
InChIKeyLPQSEFQRWDTRQV-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.72
Rot. Bonds7

About N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 103599646) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID103599646
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCN(C)C(=O)CN1CCC(NC(=O)C(=Cc2ccco2)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O4/c1-26(2)21(28)16-27-12-10-18(11-13-27)24-23(30)20(15-19-9-6-14-31-19)25-22(29)17-7-4-3-5-8-17/h3-9,14-15,18H,10-13,16H2,1-2H3,(H,24,30)(H,25,29)
InChIKeyLPQSEFQRWDTRQV-UHFFFAOYSA-N
XLogP1.72
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
CID 18552651
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]prop-1-en-2-yl]benzamide
CID 86942402
4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5437782
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
N-[(Z)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 6575923
N-[(Z)-3-(3,5-dimethylpiperidin-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 6526397
N-[(E)-1-(furan-2-yl)-3-(3-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 6021081
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide
CID 100544884
N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 5344061
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pentan-2-ylamino)prop-1-en-2-yl]benzamide
CID 133201727
N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 2176470
N-[(Z)-3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942397

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 103599646) is N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is CN(C)C(=O)CN1CCC(NC(=O)C(=Cc2ccco2)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is LPQSEFQRWDTRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-26(2)21(28)16-27-12-10-18(11-13-27)24-23(30)20(15-19-9-6-14-31-19)25-22(29)17-7-4-3-5-8-17/h3-9,14-15,18H,10-13,16H2,1-2H3,(H,24,30)(H,25,29).
What are the key properties of N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 103599646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).