(2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide

C24H29N5O4 — CID 125005444

IUPAC(2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
SMILESCCCn1c(=O)oc2cc(NC(=O)CN3CCN(Cc4ccccc4)C[C@@H]3C(N)=O)ccc21
InChIInChI=1S/C24H29N5O4/c1-2-10-29-19-9-8-18(13-21(19)33-24(29)32)26-22(30)16-28-12-11-27(15-20(28)23(25)31)14-17-6-4-3-5-7-17/h3-9,13,20H,2,10-12,14-16H2,1H3,(H2,25,31)(H,26,30)/t20-/m1/s1
InChIKeyTZISSPAOGNXYJU-HXUWFJFHSA-N
MW451.53 g/mol
LogP1.61
Rot. Bonds8

About (2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide

(2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide (PubChem CID 125005444) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is (2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
PubChem CID125005444
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name(2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
SMILESCCCn1c(=O)oc2cc(NC(=O)CN3CCN(Cc4ccccc4)C[C@@H]3C(N)=O)ccc21
InChIInChI=1S/C24H29N5O4/c1-2-10-29-19-9-8-18(13-21(19)33-24(29)32)26-22(30)16-28-12-11-27(15-20(28)23(25)31)14-17-6-4-3-5-7-17/h3-9,13,20H,2,10-12,14-16H2,1H3,(H2,25,31)(H,26,30)/t20-/m1/s1
InChIKeyTZISSPAOGNXYJU-HXUWFJFHSA-N
XLogP1.61
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
CID 125002159
(2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide
CID 124972580
4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
CID 110122356
(2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
CID 124957917
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide
CID 125016570
1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796890
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
CID 23611201
1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50744018
(2S)-4-benzyl-N-methyl-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperazine-2-carboxamide
CID 124963276
1-benzyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110412225
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796889

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide (CID 125005444) is (2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide is CCCn1c(=O)oc2cc(NC(=O)CN3CCN(Cc4ccccc4)C[C@@H]3C(N)=O)ccc21.
What is the InChIKey of (2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide?
The InChIKey is TZISSPAOGNXYJU-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-2-10-29-19-9-8-18(13-21(19)33-24(29)32)26-22(30)16-28-12-11-27(15-20(28)23(25)31)14-17-6-4-3-5-7-17/h3-9,13,20H,2,10-12,14-16H2,1H3,(H2,25,31)(H,26,30)/t20-/m1/s1.
What are the key properties of (2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide?
(2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 125005444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).