(2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C24H33ClN4O2 — CID 134804089

IUPAC(2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)CN2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C24H33ClN4O2/c1-17-5-6-20(25)12-22(17)27-7-9-28(10-8-27)24(31)16-26-13-18-11-19(15-26)21-3-2-4-23(30)29(21)14-18/h5-6,12,18-19,21H,2-4,7-11,13-16H2,1H3/t18?,19?,21-/m1/s1
InChIKeyHTOWLFDABFVHIM-GZNCHQMQSA-N
MW445.01 g/mol
LogP2.63
Rot. Bonds3

About (2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 134804089) has the molecular formula C24H33ClN4O2 and a molecular weight of 445.01 g/mol. Its IUPAC name is (2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID134804089
Molecular FormulaC24H33ClN4O2
Molecular Weight445.01 g/mol
Exact Mass444.23
IUPAC Name(2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)CN2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C24H33ClN4O2/c1-17-5-6-20(25)12-22(17)27-7-9-28(10-8-27)24(31)16-26-13-18-11-19(15-26)21-3-2-4-23(30)29(21)14-18/h5-6,12,18-19,21H,2-4,7-11,13-16H2,1H3/t18?,19?,21-/m1/s1
InChIKeyHTOWLFDABFVHIM-GZNCHQMQSA-N
XLogP2.63
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.01
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,9R)-11-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195076
(1R,2R,9R)-11-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195128
(1R,2R,9R)-11-[2-(4-chlorophenyl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110194934
4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-benzoxazin-3-one
CID 46259214
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
7-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]heptan-1-one
CID 119829060
5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one
CID 45232703
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 1021987
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 71173381
N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
CID 134804091
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone
CID 9272919
N-[(2-methoxyphenyl)methyl]-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
CID 134804738

Frequently Asked Questions

What is the IUPAC name of (2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 134804089) is (2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is Cc1ccc(Cl)cc1N1CCN(C(=O)CN2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1.
What is the InChIKey of (2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is HTOWLFDABFVHIM-GZNCHQMQSA-N. The full InChI is InChI=1S/C24H33ClN4O2/c1-17-5-6-20(25)12-22(17)27-7-9-28(10-8-27)24(31)16-26-13-18-11-19(15-26)21-3-2-4-23(30)29(21)14-18/h5-6,12,18-19,21H,2-4,7-11,13-16H2,1H3/t18?,19?,21-/m1/s1.
What are the key properties of (2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 445.01 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-11-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 134804089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).