cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate

C19H28ClN3O2 — CID 129072138

IUPACcyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate
SMILESCc1c(N)cc(Cl)cc1CN1CCN(C(=O)OC2CCCC2)C(C)C1
InChIInChI=1S/C19H28ClN3O2/c1-13-11-22(12-15-9-16(20)10-18(21)14(15)2)7-8-23(13)19(24)25-17-5-3-4-6-17/h9-10,13,17H,3-8,11-12,21H2,1-2H3
InChIKeyPQXRZCAFTCHPES-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.82
Rot. Bonds3

About cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate

cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate (PubChem CID 129072138) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate
PubChem CID129072138
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Namecyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate
SMILESCc1c(N)cc(Cl)cc1CN1CCN(C(=O)OC2CCCC2)C(C)C1
InChIInChI=1S/C19H28ClN3O2/c1-13-11-22(12-15-9-16(20)10-18(21)14(15)2)7-8-23(13)19(24)25-17-5-3-4-6-17/h9-10,13,17H,3-8,11-12,21H2,1-2H3
InChIKeyPQXRZCAFTCHPES-UHFFFAOYSA-N
XLogP3.82
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(2S)-4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazin-1-yl]-cyclopentylmethanone
CID 90204308
[2-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylanilino]-2-oxoethyl] N-methylcarbamate
CID 130201836
tert-butyl (2S)-4-[[3-amino-5-(difluoromethyl)-2-methylphenyl]methyl]-2-methylpiperazine-1-carboxylate
CID 134183301
tert-butyl (2S)-4-[(5-chloro-2-methyl-3-thionitrosophenyl)methyl]-2-methylpiperazine-1-carboxylate
CID 134183661
N-[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]butanamide
CID 147091217
tert-butyl (2S)-4-[(5-chloro-2-methyl-3-nitrophenyl)methyl]-2-methylpiperazine-1-carboxylate
CID 118452263
1-[5-chloro-3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-4-methylsulfonylbutan-2-one
CID 147445686
cyclopentyl 4-[[5-cyano-2-methyl-3-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]-2-methylpiperazine-1-carboxylate
CID 118542403
N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-2-(1,1-dihydroxythietan-3-yl)acetamide
CID 130201819
[3-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylanilino]-3-oxopropyl]-methylcarbamic acid
CID 130201679
N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-2-(5-methyloxolan-3-yl)acetamide
CID 130201728
N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-2-(oxan-4-yl)acetamide
CID 130201823

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate?
The IUPAC name of cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate (CID 129072138) is cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate?
The canonical SMILES for cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate is Cc1c(N)cc(Cl)cc1CN1CCN(C(=O)OC2CCCC2)C(C)C1.
What is the InChIKey of cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate?
The InChIKey is PQXRZCAFTCHPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-13-11-22(12-15-9-16(20)10-18(21)14(15)2)7-8-23(13)19(24)25-17-5-3-4-6-17/h9-10,13,17H,3-8,11-12,21H2,1-2H3.
What are the key properties of cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate?
cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate has a molecular weight of 365.91 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[(3-amino-5-chloro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 129072138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).