N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C24H28N4O3 — CID 86960228

IUPACN-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C24H28N4O3/c29-22(26-19-6-4-14-27(17-19)20-7-2-1-3-8-20)16-25-24(31)18-10-12-21(13-11-18)28-15-5-9-23(28)30/h1-3,7-8,10-13,19H,4-6,9,14-17H2,(H,25,31)(H,26,29)
InChIKeyGFWSYINTPFGEGA-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.33
Rot. Bonds6

About N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 86960228) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID86960228
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C24H28N4O3/c29-22(26-19-6-4-14-27(17-19)20-7-2-1-3-8-20)16-25-24(31)18-10-12-21(13-11-18)28-15-5-9-23(28)30/h1-3,7-8,10-13,19H,4-6,9,14-17H2,(H,25,31)(H,26,29)
InChIKeyGFWSYINTPFGEGA-UHFFFAOYSA-N
XLogP2.33
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17418131
N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41045423
N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 47839065
N-[2-[[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9451102
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51273786
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41375622
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46584847
N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17437757
4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)ethyl]benzamide
CID 46584717
N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46700707

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 86960228) is N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC1CCCN(c2ccccc2)C1.
What is the InChIKey of N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is GFWSYINTPFGEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-22(26-19-6-4-14-27(17-19)20-7-2-1-3-8-20)16-25-24(31)18-10-12-21(13-11-18)28-15-5-9-23(28)30/h1-3,7-8,10-13,19H,4-6,9,14-17H2,(H,25,31)(H,26,29).
What are the key properties of N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 420.51 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(1-phenylpiperidin-3-yl)amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 86960228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).