tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate

C32H50N4O5 — CID 123145870

IUPACtert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1N(C)C1CCCC1
InChIInChI=1S/C32H50N4O5/c1-20-16-21(2)34-30(38)27(20)19-33-29(37)26-17-25(18-28(22(26)3)35(7)23-10-8-9-11-23)40-24-12-14-36(15-13-24)31(39)41-32(4,5)6/h17-18,20-21,23-24,27H,8-16,19H2,1-7H3,(H,33,37)(H,34,38)
InChIKeyMCLGYVVJEFCMOC-UHFFFAOYSA-N
MW570.78 g/mol
LogP5.04
Rot. Bonds7

About tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate

tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate (PubChem CID 123145870) has the molecular formula C32H50N4O5 and a molecular weight of 570.78 g/mol. Its IUPAC name is tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate
PubChem CID123145870
Molecular FormulaC32H50N4O5
Molecular Weight570.78 g/mol
Exact Mass570.38
IUPAC Nametert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1N(C)C1CCCC1
InChIInChI=1S/C32H50N4O5/c1-20-16-21(2)34-30(38)27(20)19-33-29(37)26-17-25(18-28(22(26)3)35(7)23-10-8-9-11-23)40-24-12-14-36(15-13-24)31(39)41-32(4,5)6/h17-18,20-21,23-24,27H,8-16,19H2,1-7H3,(H,33,37)(H,34,38)
InChIKeyMCLGYVVJEFCMOC-UHFFFAOYSA-N
XLogP5.04
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[5-chloro-3-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-2-methylphenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90168505
5-bromo-2-methyl-3-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
CID 125498102
tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-(6-formyl-3-pyridinyl)-N,2-dimethylanilino]piperidine-1-carboxylate
CID 86684892
tert-butyl 3-[[5-chloro-3-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-2-methylcyclohexyl]-ethylamino]pyrrolidine-1-carboxylate
CID 140641721
5-cyano-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 140752542
tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 145472944
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
tert-butyl 4-[3-[(1R)-1-hydroxyethyl]phenoxy]piperidine-1-carboxylate
CID 124636293
2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid
CID 18700142
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292
tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
CID 22632413

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate (CID 123145870) is tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1N(C)C1CCCC1.
What is the InChIKey of tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate?
The InChIKey is MCLGYVVJEFCMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N4O5/c1-20-16-21(2)34-30(38)27(20)19-33-29(37)26-17-25(18-28(22(26)3)35(7)23-10-8-9-11-23)40-24-12-14-36(15-13-24)31(39)41-32(4,5)6/h17-18,20-21,23-24,27H,8-16,19H2,1-7H3,(H,33,37)(H,34,38).
What are the key properties of tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate?
tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate has a molecular weight of 570.78 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[cyclopentyl(methyl)amino]-5-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-4-methylphenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 123145870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).