2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide

C26H25ClN4O4 — CID 129226959

IUPAC2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4ccccc4C(N)=O)cc3)C2=O)cc1Cl
InChIInChI=1S/C26H25ClN4O4/c1-35-23-13-10-17(15-21(23)27)29-26(34)30-22-7-4-14-31(25(22)33)18-11-8-16(9-12-18)19-5-2-3-6-20(19)24(28)32/h2-3,5-6,8-13,15,22H,4,7,14H2,1H3,(H2,28,32)(H2,29,30,34)/t22-/m1/s1
InChIKeySJYNWIVHSSCSHL-JOCHJYFZSA-N
MW492.96 g/mol
LogP4.43
Rot. Bonds6

About 2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide

2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide (PubChem CID 129226959) has the molecular formula C26H25ClN4O4 and a molecular weight of 492.96 g/mol. Its IUPAC name is 2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide
PubChem CID129226959
Molecular FormulaC26H25ClN4O4
Molecular Weight492.96 g/mol
Exact Mass492.16
IUPAC Name2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4ccccc4C(N)=O)cc3)C2=O)cc1Cl
InChIInChI=1S/C26H25ClN4O4/c1-35-23-13-10-17(15-21(23)27)29-26(34)30-22-7-4-14-31(25(22)33)18-11-8-16(9-12-18)19-5-2-3-6-20(19)24(28)32/h2-3,5-6,8-13,15,22H,4,7,14H2,1H3,(H2,28,32)(H2,29,30,34)/t22-/m1/s1
InChIKeySJYNWIVHSSCSHL-JOCHJYFZSA-N
XLogP4.43
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.96
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide?
The IUPAC name of 2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide (CID 129226959) is 2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide?
The canonical SMILES for 2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide is COc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4ccccc4C(N)=O)cc3)C2=O)cc1Cl.
What is the InChIKey of 2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide?
The InChIKey is SJYNWIVHSSCSHL-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H25ClN4O4/c1-35-23-13-10-17(15-21(23)27)29-26(34)30-22-7-4-14-31(25(22)33)18-11-8-16(9-12-18)19-5-2-3-6-20(19)24(28)32/h2-3,5-6,8-13,15,22H,4,7,14H2,1H3,(H2,28,32)(H2,29,30,34)/t22-/m1/s1.
What are the key properties of 2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide?
2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide has a molecular weight of 492.96 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-3-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 129226959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).