N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide

C19H21ClN4O4 — CID 50831155

IUPACN-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2=O)o1
InChIInChI=1S/C19H21ClN4O4/c1-13-2-7-16(28-13)10-21-17(25)11-23-8-9-24(12-18(23)26)19(27)22-15-5-3-14(20)4-6-15/h2-7H,8-12H2,1H3,(H,21,25)(H,22,27)
InChIKeyPDCITAJXZQKMET-UHFFFAOYSA-N
MW404.85 g/mol
LogP2.23
Rot. Bonds5

About N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide

N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide (PubChem CID 50831155) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
PubChem CID50831155
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC NameN-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2=O)o1
InChIInChI=1S/C19H21ClN4O4/c1-13-2-7-16(28-13)10-21-17(25)11-23-8-9-24(12-18(23)26)19(27)22-15-5-3-14(20)4-6-15/h2-7H,8-12H2,1H3,(H,21,25)(H,22,27)
InChIKeyPDCITAJXZQKMET-UHFFFAOYSA-N
XLogP2.23
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831289
4-[2-[3-(azepan-1-yl)propylamino]-2-oxoethyl]-N-(4-chlorophenyl)-3-oxopiperazine-1-carboxamide
CID 50831187
N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 17126963
N-(4-fluorophenyl)-4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832895
N-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831344
N-(4-fluorophenyl)-4-[2-(3-methylbutylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831401
4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 93072588
N-(4-bromophenyl)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 93072599
N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832820
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832822
N-(4-chlorophenyl)-3-methyl-4-oxoimidazolidine-1-carboxamide
CID 135143194

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide (CID 50831155) is N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide is Cc1ccc(CNC(=O)CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2=O)o1.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is PDCITAJXZQKMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-13-2-7-16(28-13)10-21-17(25)11-23-8-9-24(12-18(23)26)19(27)22-15-5-3-14(20)4-6-15/h2-7H,8-12H2,1H3,(H,21,25)(H,22,27).
What are the key properties of N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 50831155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).