ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate

C26H32N4O3 — CID 71253045

IUPACethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(C(=O)N2CCN(c3ncc(C4CC4)cc3C3CC3)CC2)cc1
InChIInChI=1S/C26H32N4O3/c1-3-33-26(32)28(2)22-10-8-20(9-11-22)25(31)30-14-12-29(13-15-30)24-23(19-6-7-19)16-21(17-27-24)18-4-5-18/h8-11,16-19H,3-7,12-15H2,1-2H3
InChIKeyJSFHANGAAIWASE-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.39
Rot. Bonds6

About ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate

ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate (PubChem CID 71253045) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate
PubChem CID71253045
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Nameethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(C(=O)N2CCN(c3ncc(C4CC4)cc3C3CC3)CC2)cc1
InChIInChI=1S/C26H32N4O3/c1-3-33-26(32)28(2)22-10-8-20(9-11-22)25(31)30-14-12-29(13-15-30)24-23(19-6-7-19)16-21(17-27-24)18-4-5-18/h8-11,16-19H,3-7,12-15H2,1-2H3
InChIKeyJSFHANGAAIWASE-UHFFFAOYSA-N
XLogP4.39
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494582
3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;methoxyethane
CID 143982799
[3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
CID 67380711
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67381372
1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one
CID 71252643
[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[(2S)-1-methylsulfonylpropan-2-yl]phenyl]methanone
CID 162085233
[4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone
CID 71251880
3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one
CID 58484810
tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine
CID 162101147
[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone
CID 71252517
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
(4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one
CID 67381179

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate (CID 71253045) is ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate is CCOC(=O)N(C)c1ccc(C(=O)N2CCN(c3ncc(C4CC4)cc3C3CC3)CC2)cc1.
What is the InChIKey of ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate?
The InChIKey is JSFHANGAAIWASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-3-33-26(32)28(2)22-10-8-20(9-11-22)25(31)30-14-12-29(13-15-30)24-23(19-6-7-19)16-21(17-27-24)18-4-5-18/h8-11,16-19H,3-7,12-15H2,1-2H3.
What are the key properties of ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate?
ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate has a molecular weight of 448.57 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate is sourced from PubChem (CID 71253045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).